Ochratoxin A (CAS 303-47-9): price, suppliers and safety

What is Ochratoxin A?

Plain description, key identifiers and synonyms

Ochratoxin A is a phenylalanine derivative resulting from the formal condensation of the amino group of L-phenylalanine with the carboxy group of (3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid (ochratoxin alpha). It is among the most widely occurring food-contaminating mycotoxins, produced by Aspergillus ochraceus, Aspergillus carbonarius and Penicillium verrucosum. It has a role as a mycotoxin, a calcium channel blocker, a carcinogenic agent, a teratogenic agent, a nephrotoxin, an Aspergillus metabolite and a Penicillium metabolite. It is a phenylalanine derivative, a monocarboxylic acid amide, an organochlorine compound, a member of isochromanes and a N-acyl-L-phenylalanine. It is functionally related to an ochratoxin alpha. It is a conjugate acid of an ochratoxin A(1-).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid
CAS number: 303-47-9 CAS number cross-checked
EC number: 206-143-7
Molecular formula: C₂₀H₁₈ClNO₆
UNII: 1779SX6LUY
MDL number: MFCD00078079
InChIKey: RWQKHEORZBHNRI-BMIGLBTASA-N
InChI: InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1
Canonical SMILES: CC1Cc2c(Cl)cc(C(=O)NC(Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1
Isomeric SMILES: C[C@@H]1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)Cl

Synonyms

Antibiotic 9663
(-)-N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenylalanine
Phenylalanine-ochratoxin A
N-(((3R)-5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-L-alanine
L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)-
Alanine, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-, (-)-
(R)-N-((5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-benzo(c)pyran-7-yl)carbonyl)-3-phenylalanine
(2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid
(2S)-2-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]formamido}-3-phenylpropanoic acid
(R)-N-((5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-l-phenylalanine
(R)-N-((5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)phenylalanine
L-Phenylalanine, N-(((3R)-5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-
Alanine, N-[(5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl]-3-phenyl-, (-)-
(2S)-2-(((3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)formamido)-3-phenylpropanoic acid
(2S)-2-(((3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino)-3-phenylpropanoic acid
L-Phenylalanine, N-[(5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl]-, (R)-
N-(((3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)carbonyl)-L-phenylalanine
N-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]carbonyl}-L-phenylalanine
2-(((5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)(hydroxy)methylidene)amino)-3-phenylpropanoic acid
Phenylalanine - ochratoxin A
3R14S-Ochratoxin A
Ochratoxin A-BSA conjugate from Aspergillus ochraceus
C20H18ClNO6
OTA
N-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine

Show all 34 synonyms

Ochratoxin A(OTA)
(2~{S})-2-[[(3~{R})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid
N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-L-phenylalanine
Ochratoxin A (10?g/mL in Acetonitrile)
Ochratoxin A 2 microg/mL in Acetonitrile
Ochratoxin A 10 microg/mL in Acetonitrile
Ochratoxin A from Aspergillus ochraceus
03 - Mycotoxin
Rye flour containing mycotoxins

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Appearance	Crystals from xylene exhibits green fluorescenceexp.
Melting point	169 °Cexp.
Solubility	The sodium salt is soluble in water.exp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight	403.82 g/molcalc.
Exact mass	403.0823 Dacalc.
LogP (octanol/water)	2.57calc.
Topological polar surface area	112.9 Å²calc.
Hydrogen bond donors	3calc.
Hydrogen bond acceptors	5calc.
Rotatable bonds	5calc.
Heavy atoms	28calc.
Rings	3calc.
Aromatic rings	2calc.
Fraction sp3 carbons	0.25calc.
Formal charge	0calc.
Stereocentres	2calc.
Lipinski rule of five	Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

O=C(NCCc1ccccc1)c1ccc2c(c1)C(=O)OCC2

3 rings, 22 atoms.

32 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word

Danger

Acute toxicity (severe)

Harmful or irritant

Serious health hazard

Hazard statements

H300Fatal if swallowed.
H319Causes serious eye irritation.
H330Fatal if inhaled.
H351Suspected of causing cancer.
H361Suspected of damaging fertility or the unborn child.
H413May cause long lasting harmful effects to aquatic life.

Precautionary statements (21)

P203Obtain, read and follow all safety instructions before use.
P260Do not breathe dust, fume, gas, mist, vapours or spray.
P264Wash skin thoroughly after handling.
P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
P270Do not eat, drink or smoke when using this product.
P271Use only outdoors or in a well-ventilated area.
P273Avoid release to the environment.
P280Wear protective gloves, protective clothing, eye protection and face protection.
P284In case of inadequate ventilation wear respiratory protection.
P301 + P316If swallowed: Get emergency medical help immediately.
P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P316Get emergency medical help immediately.
P318If exposed or concerned, get medical advice.
P320Specific treatment is urgent (see supplemental first aid instructions on the label).
P321Specific treatment (see supplemental first aid instructions on the label).
P330Rinse mouth.
P337 + P317If eye irritation persists: Get medical help.
P403 + P233Store in a well-ventilated place. Keep container tightly closed.
P405Store locked up.
P501Dispose of contents and container in accordance with local regulations.

UN number: UN 2811

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Ochratoxin A suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 35 suppliers

Verified only30 of 30 offers

A2B Chem LLC
United States, San DiegoUnclaimed profile
Ochratoxin AGrade, purity and minimum order on request
Price on request
View
Aa Blocks LLC
United States, San DiegoUnclaimed profile
Ochratoxin AGrade, purity and minimum order on request
Price on request
View
ABCR GmbH & CO. KG
GermanyUnclaimed profile
Ochratoxin AGrade, purity and minimum order on request
Price on request
View
Achemtek
United States, WoburnUnclaimed profile
Ochratoxin AGrade, purity and minimum order on request
Price on request
View
AHH Chemical co.,ltd
China, ChangzhouUnclaimed profile
Ochratoxin AGrade, purity and minimum order on request
Price on request
View
AKos Consulting & Solutions
Germany, LorrachUnclaimed profile
Ochratoxin AGrade, purity and minimum order on request
Price on request
View
Aladdin Scientific
United States, RiversideUnclaimed profile
Ochratoxin AGrade, purity and minimum order on request
Price on request
View
Alfa Chemistry
United States, HolbrookUnclaimed profile
Ochratoxin AGrade, purity and minimum order on request
Price on request
View
AstaTech, Inc.
United States, BristolUnclaimed profile
Ochratoxin AGrade, purity and minimum order on request
Price on request
View
AvaChem Scientific LLC
United StatesUnclaimed profile
Ochratoxin AGrade, purity and minimum order on request
Price on request
View

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

35 suppliers in 10 countries

Send one request to many suppliers

Choose up to 10 suppliers or let us match your request. Compare quotes side by side, free.

Choose suppliers Post a request

Ochratoxin A price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Experimentally as teratogen and carcinogen (Ochratoxins).

Pharmacological actions

Calcium Channel Blockers
Carcinogens

Roles

Aspergillus metabolite
Penicillium metabolite
aetiopathogenetic role
antagonist
biophysical role
calcium channel blocker
calcium channel modulator
carcinogenic agent
eukaryotic metabolite
fungal metabolite
membrane transport modulator
metabolite
mycotoxin
nephrotoxic agent
nephrotoxin
poison
teratogenic agent
toxin

Pharmacology

Ochratoxin A is a white, crystalline powder that is very unstable in the presence of light but fairly heat resistant. Ochratoxin A is a widespread, naturally occurring mycotoxin that is produced by some fungi, especially by Aspergillus and Penicillium, and is a very common food contaminant found on grains, coffee beans, nuts, decaying vegetation, moldy cereals and animal feeds. This toxin is used in research as an experimental teratogen and carcinogen. Ochratoxin A is reasonably anticipated to be a human carcinogen and may be associated with an increased risk of developing urinary tract tumors. (NCI05)

How it is made

Toxic metabolite from species of aspergillus and other molds

An efficient method for obtaining small amounts of ochratoxin A from fermented wheat has been reported...

Ochratoxin A is produced by inoculating strains of the fungi that produce this compound on autoclaved grains and oilseed.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Ochratoxin A is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024

$1.97B

−4.7% vs 2023, imports $2.07B

2019 to 2024

Top exporters

China56.3%
India * partner reported7.4%
Germany7.3%

Top importers

United States14.2%
India * partner reported13.5%
Brazil8.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Ochratoxin A is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Parent and salt forms, stereoisomers, similar structures and isomers

Salt and hydrate forms

Records that share this compound as their parent

Ochratoxin A potassium chemical structure, C20H17ClKNO6, CAS 89930-56-3

Ochratoxin A potassium89930-56-3C₂₀H₁₇ClKNO₆

Ochratoxin A sodium chemical structure, C20H17ClNNaO6, CAS 89930-55-2

Ochratoxin A sodium89930-55-2C₂₀H₁₇ClNNaO₆

Stereoisomers and isotopic forms

Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)

[U-13C]-Ochratoxin A chemical structure, C20H18ClNO6, CAS 911392-42-2

[U-13C]-Ochratoxin A911392-42-2C₂₀H₁₈ClNO₆1 supplier

Ochratoxin A-d5 chemical structure, C20H18ClNO6, CAS 666236-28-8

Ochratoxin A-d5666236-28-8C₂₀H₁₈ClNO₆

N-(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl)phenylalanine chemical structure, C20H18ClNO6, CAS 1448049-50-0

N-(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl)phenylalanine1448049-50-0C₂₀H₁₈ClNO₆

3-Epi-ochratoxin A chemical structure, C20H18ClNO6, CAS 189152-21-4

3-Epi-ochratoxin A189152-21-4C₂₀H₁₈ClNO₆

Ochratoxin A-D4 chemical structure, C20H18ClNO6

Ochratoxin A-D4C₂₀H₁₈ClNO₆

Ochratoxin-A chemical structure, C20H18ClNO6

Ochratoxin-AC₂₀H₁₈ClNO₆

3-Epi-ochratoxin A-d5 chemical structure, C20H18ClNO6, CAS 1177316-02-7

3-Epi-ochratoxin A-d51177316-02-7C₂₀H₁₈ClNO₆

Similar structures

Nearest neighbours by Morgan fingerprint Tanimoto similarity

Ochratoxin C chemical structure, C22H22ClNO6, CAS 4865-85-4

Ochratoxin B chemical structure, C20H19NO6, CAS 4825-86-9

Ochratoxin alpha chemical structure, C11H9ClO5, CAS 19165-63-0

Same formula isomers

Different compounds that share this molecular formula

All isomers

Sanguinarium chloride hydrate chemical structure, C20H18ClNO6, CAS 1099738-80-3

Sanguinarium chloride hydrate1099738-80-3C₂₀H₁₈ClNO₆

(5-(3,4-Dimethoxyphenyl)isoxazol-3-yl)methyl 5-chloro-2-methoxybenzoate chemical structure, C20H18ClNO6, CAS 953248-80-1

(5-(3,4-Dimethoxyphenyl)isoxazol-3-yl)methyl 5-chloro-2-methoxybenzoate953248-80-1C₂₀H₁₈ClNO₆

5-[(4-([2-(4-Chlorophenyl)-2-oxoethoxy]carbonyl)phenyl)amino]-5-oxopentanoic acid chemical structure, C20H18ClNO6, CAS 774557-93-6

5-[(4-([2-(4-Chlorophenyl)-2-oxoethoxy]carbonyl)phenyl)amino]-5-oxopentanoic acid774557-93-6C₂₀H₁₈ClNO₆

2-[2-(4-Chlorophenyl)-2-oxoethyl] 1-phenyl 4-hydroxypyrrolidine-1,2-dicarboxylate chemical structure, C20H18ClNO6, CAS 5913-87-1

2-[2-(4-Chlorophenyl)-2-oxoethyl] 1-phenyl 4-hydroxypyrrolidine-1,2-dicarboxylate5913-87-1C₂₀H₁₈ClNO₆

L-Tyrosine, N-((5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)- chemical structure, C20H18ClNO6, CAS 64398-36-3

L-Tyrosine, N-((5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-64398-36-3C₂₀H₁₈ClNO₆

(4E)-4-[(4-Chlorophenyl)(hydroxy)methylidene]-1-(2-hydroxyethyl)-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione chemical structure, C20H18ClNO6, CAS 371236-77-0

(4E)-4-[(4-Chlorophenyl)(hydroxy)methylidene]-1-(2-hydroxyethyl)-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione371236-77-0C₂₀H₁₈ClNO₆

N-(5-Chloro-2,4-dimethoxyphenyl)-2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide chemical structure, C20H18ClNO6, CAS 904510-61-8

N-(5-Chloro-2,4-dimethoxyphenyl)-2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide904510-61-8C₂₀H₁₈ClNO₆

(4E)-4-[(4-Chlorophenyl)-hydroxymethylidene]-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione chemical structure, C20H18ClNO6, CAS 879937-48-1

(4E)-4-[(4-Chlorophenyl)-hydroxymethylidene]-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione879937-48-1C₂₀H₁₈ClNO₆

1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl 4-butoxy-3-chloro-5-methoxybenzoate chemical structure, C20H18ClNO6, CAS 2248292-66-0

1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl 4-butoxy-3-chloro-5-methoxybenzoate2248292-66-0C₂₀H₁₈ClNO₆

1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate chemical structure, C20H18ClNO6, CAS 2248303-34-4

1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate2248303-34-4C₂₀H₁₈ClNO₆

1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl 3-chloro-5-ethoxy-4-propoxybenzoate chemical structure, C20H18ClNO6, CAS 2248352-62-5

1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl 3-chloro-5-ethoxy-4-propoxybenzoate2248352-62-5C₂₀H₁₈ClNO₆

4-(4-Chlorobenzoyl)-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one chemical structure, C20H18ClNO6

4-(4-Chlorobenzoyl)-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-2-oneC₂₀H₁₈ClNO₆

Frequently asked questions

Quick answers about Ochratoxin A, based on the data on this page

What is Ochratoxin A?

Ochratoxin A is a phenylalanine derivative resulting from the formal condensation of the amino group of L-phenylalanine with the carboxy group of (3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid (ochratoxin alpha).

What is the CAS number of Ochratoxin A?

The CAS registry number of Ochratoxin A is 303-47-9.

What is the molecular formula and weight of Ochratoxin A?

The molecular formula of Ochratoxin A is C20H18ClNO6 and its molar mass is 403.82 g/mol.

What is Ochratoxin A used for?

Experimentally as teratogen and carcinogen (Ochratoxins).

Is Ochratoxin A hazardous?

Ochratoxin A carries the GHS signal word "Danger". Main hazards: fatal if swallowed, causes serious eye irritation, fatal if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Ochratoxin A?

Ochratoxin A is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ochratoxin A?

CompoundList lists 35 suppliers of Ochratoxin A in United States, China, Germany, Spain and 6 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Ochratoxin A?

Suppliers quote Ochratoxin A on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Ochratoxin A

Ochratoxin A

Key facts

What is Ochratoxin A?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Hazard statements

Ochratoxin A suppliers

Where suppliers are based

Send one request to many suppliers

Ochratoxin A price

Uses and applications

Pharmacological actions

Roles

Pharmacology

How it is made

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Ochratoxin A?

What is the CAS number of Ochratoxin A?

What is the molecular formula and weight of Ochratoxin A?

What is Ochratoxin A used for?

Is Ochratoxin A hazardous?

What is the HS code of Ochratoxin A?

Where can I buy Ochratoxin A?

What is the price of Ochratoxin A?

Guides for buyers

Get quotes for Ochratoxin A

Key facts

What is Ochratoxin A?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Hazard statements

Ochratoxin A suppliers

Where suppliers are based

Send one request to many suppliers

Ochratoxin A price

Uses and applications

Pharmacological actions

Roles

Pharmacology

How it is made

Regulatory status

HS code and trade data

Global trade

Related chemicals

Salt and hydrate forms

Stereoisomers and isotopic forms

Similar structures

Same formula isomers

Frequently asked questions

What is Ochratoxin A?

What is the CAS number of Ochratoxin A?

What is the molecular formula and weight of Ochratoxin A?

What is Ochratoxin A used for?

Is Ochratoxin A hazardous?

What is the HS code of Ochratoxin A?

Where can I buy Ochratoxin A?

What is the price of Ochratoxin A?

Guides for buyers

Get quotes for Ochratoxin A