(-)-Hydrastine (CAS 118-08-1): price, suppliers and safety

What is (-)-Hydrastine?

Plain description, key identifiers and synonyms

Hydrastine is a natural product found in Hydrastis canadensis. It has a role as a metabolite.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: (3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
CAS number: 118-08-1 CAS number cross-checkedOther or deprecated CAS: 60594-55-0
EC number: 204-233-0
Molecular formula: C₂₁H₂₁NO₆
UNII: 8890V3217X
InChIKey: JZUTXVTYJDCMDU-MOPGFXCFSA-N
InChI: InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m1/s1
Canonical SMILES: COc1ccc2c(c1OC)C(=O)OC2C1c2cc3c(cc2CCN1C)OCO3
Isomeric SMILES: CN1CCC2=CC3=C(C=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3

Synonyms

Hydrastine
(3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
6,7-Dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinoline-5-yl)-1(3H)-isobenzo furan
Isocoryne
(3S)-6,7-dimethoxy-3-((5R)-6-methyl-7,8-dihydro-5H-(1,3)dioxolo(4,5-g)isoquinolin-5-yl)-3H-2-benzofuran-1-one
beta-Hydrastine
(-)-beta-Hydrastine
(+/-)-beta-Hydrastine
Hydrastine (1R, 9S)
(+/-)-b-Hydrastine
(3S)-6,7-Dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1(3H)-isobenzofuranone
l-Hydrastine
(3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one
3-((5R)-6-methyl(5,6,7,8-tetrahydro-2H-1,3-dioxoleno[4,5-g]isoquinolin-5-yl))( 3S)-6,7-dimethoxy-3-hydroisobenzofuran-1-one
Phthalide, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-
(1R,9S)-beta-Hydrastine
Hydrastin
(3S)-rel-6,7-Dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1(3H)-isobenzofuranone, (+/-)-Hydrastine,
Hydrastine (Standard)
4-27-00-06833 (Beilstein Handbook Reference)
Hydrastine (1r 9S)
(1R,9S)-(-)-beta-Hydrastine
Hydrastine (constituent of goldenseal)
Hydrastine, United States Pharmacopeia (USP) Reference Standard
(3S)-6,7-Dimethoxy-3-[(5R)-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one

Show all 26 synonyms

(S)-6,7-Dimethoxy-3-(R)-(6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)isobenzofuran-1(3H)-one

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

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

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	383.40 g/molcalc.
Exact mass	383.1369 Dacalc.
LogP (octanol/water)	2.87calc.
Topological polar surface area	66.46 Å²calc.
Hydrogen bond donors	0calc.
Hydrogen bond acceptors	7calc.
Rotatable bonds	3calc.
Heavy atoms	28calc.
Rings	5calc.
Aromatic rings	2calc.
Fraction sp3 carbons	0.38calc.
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=C1OC(C2NCCc3cc4c(cc32)OCO4)c2ccccc21

5 rings, 23 atoms.

40 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word

Warning

Harmful or irritant

Hazard statements

H302Harmful if swallowed.
H312Harmful in contact with skin.
H332Harmful if inhaled.

Precautionary statements (13)

P261Avoid breathing dust, fume, gas, mist, vapours or spray.
P264Wash skin thoroughly after handling.
P270Do not eat, drink or smoke when using this product.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves, protective clothing, eye protection and face protection.
P301 + P317If swallowed: Get medical help.
P302 + P352If on skin: Wash with plenty of water.
P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
P317Get medical help.
P321Specific treatment (see supplemental first aid instructions on the label).
P330Rinse mouth.
P362 + P364Take off contaminated clothing. And wash it before reuse.
P501Dispose of contents and container in accordance with local regulations.

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

(-)-Hydrastine suppliers

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

All 2 suppliers

BioAustralis Fine Chemicals
Australia, SmithfieldUnclaimed profile
(-)-HydrastineGrade, purity and minimum order on request
Price on request
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Biopurify Phytochemicals
China, ChengduUnclaimed profile
(-)-HydrastineGrade, purity and minimum order on request
Price on request
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Where suppliers are based

2 suppliers in 2 countries

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(-)-Hydrastine 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.

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Uses and applications

What the substance is used for, by industry and function

Roles

metabolite

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

EU Cosmetics Regulation Annex II, prohibited in cosmetics
Name: Hydrastine, hydrastinine and their salts, Ref no: 199, Annex ref: II/199

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code (-)-Hydrastine is traded under.

HS 2939.79Indicative HS code

Alkaloids of vegetal origin, other than cocaine, ecgonine, salts, esters and other derivatives, not elsewhere…

World exports in 2024

$701M

+18.9% vs 2023, imports $830M

2019 to 2024

Top exporters

Switzerland * partner reported25.3%
Germany21.4%
India * partner reported14.9%

Top importers

United States20.9%
Germany14.7%
Italy14.6%

* Partner reported figures, a lower bound.

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

The HS code shown for (-)-Hydrastine 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

1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, hydrochloride (1:1), (3S)- chemical structure, C21H22ClNO6, CAS 5936-28-7

1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, hydrochloride (1:1), (3S)-5936-28-7C₂₁H₂₂ClNO₆

Hydrastine sulfate chemical structure, C21H23NO10S, CAS 7400-89-7

Hydrastine sulfate7400-89-7C₂₁H₂₃NO₁₀S

Stereoisomers and isotopic forms

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

(+)-Hydrastine chemical structure, C21H21NO6, CAS 29617-43-4

(+)-Hydrastine29617-43-4C₂₁H₂₁NO₆

(-)-alpha-Hydrastine chemical structure, C21H21NO6

(-)-alpha-HydrastineC₂₁H₂₁NO₆

1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [S-(R*,S*)]- chemical structure, C21H21NO6, CAS 60594-55-0

1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [S-(R*,S*)]-60594-55-0C₂₁H₂₁NO₆1 supplier

(±)-Hydrastine chemical structure, C21H21NO6

(±)-HydrastineC₂₁H₂₁NO₆

(±)-?-Hydrastine-d3 chemical structure, C21H21NO6, CAS 1346598-42-2

(±)-?-Hydrastine-d31346598-42-2C₂₁H₂₁NO₆

Similar structures

Nearest neighbours by Morgan fingerprint Tanimoto similarity

Noscapine hydrochloride chemical structure, C22H24ClNO7, CAS 912-60-7

Gnoscopine chemical structure, C22H23NO7, CAS 6035-40-1

77% similar

Gnoscopine6035-40-1C₂₂H₂₃NO₇1 supplier

(-)-Beta-narcotine chemical structure, C22H23NO7, CAS 3860-46-6

Noscapine chemical structure, C22H23NO7, CAS 128-62-1

77% similar

Noscapine128-62-1C₂₂H₂₃NO₇37 suppliers

Bicuculline chemical structure, C20H17NO6, CAS 485-49-4

Same formula isomers

Different compounds that share this molecular formula

All isomers

(2S)-2-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-5-methoxy-5-oxopentanoic acid chemical structure, C21H21NO6, CAS 145038-50-2

(2S)-2-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-5-methoxy-5-oxopentanoic acid145038-50-2C₂₁H₂₁NO₆3 suppliers

3-(2,5-Dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-7-yl dimethylcarbamate chemical structure, C21H21NO6, CAS 859668-98-7

3-(2,5-Dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-7-yl dimethylcarbamate859668-98-7C₂₁H₂₁NO₆

(5bR,13bR,15S)-5b,6,7,8,13b,15-Hexahydro-15-methoxy-6-methyl(1,3)dioxolo(4,5-h)-1,3-dioxolo(7,8)(2)benzopyrano(3,4-a)(3)benzazepine chemical structure, C21H21NO6, CAS 2718-25-4

(5bR,13bR,15S)-5b,6,7,8,13b,15-Hexahydro-15-methoxy-6-methyl(1,3)dioxolo(4,5-h)-1,3-dioxolo(7,8)(2)benzopyrano(3,4-a)(3)benzazepine2718-25-4C₂₁H₂₁NO₆

(2R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-methoxy-5-oxopentanoic acid chemical structure, C21H21NO6, CAS 1481642-14-1

(2R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-methoxy-5-oxopentanoic acid1481642-14-1C₂₁H₂₁NO₆

N-[2-(3,4-Dimethoxyphenyl)ethyl]-6-methoxy-2-oxo-2H-chromene-3-carboxamide chemical structure, C21H21NO6, CAS 833433-96-8

N-[2-(3,4-Dimethoxyphenyl)ethyl]-6-methoxy-2-oxo-2H-chromene-3-carboxamide833433-96-8C₂₁H₂₁NO₆

N-(3,4-Dimethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide chemical structure, C21H21NO6, CAS 438471-45-5

N-(3,4-Dimethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide438471-45-5C₂₁H₂₁NO₆

(6S)-6-((1S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)furo(3,4-e)-1,3-benzodioxol-8(6H)-one chemical structure, C21H21NO6, CAS 524-46-9

(6S)-6-((1S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)furo(3,4-e)-1,3-benzodioxol-8(6H)-one524-46-9C₂₁H₂₁NO₆

N-[2-(3,4-Dimethoxyphenyl)ethyl]-8-methoxy-2-oxo-2H-chromene-3-carboxamide chemical structure, C21H21NO6, CAS 838866-32-3

N-[2-(3,4-Dimethoxyphenyl)ethyl]-8-methoxy-2-oxo-2H-chromene-3-carboxamide838866-32-3C₂₁H₂₁NO₆

2-(3-Methoxyphenyl)-2-oxoethyl 1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylate chemical structure, C21H21NO6, CAS 726139-83-9

2-(3-Methoxyphenyl)-2-oxoethyl 1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylate726139-83-9C₂₁H₂₁NO₆

Ethyl 5-[(dimethylcarbamoyl)oxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate chemical structure, C21H21NO6, CAS 896819-22-0

Ethyl 5-[(dimethylcarbamoyl)oxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate896819-22-0C₂₁H₂₁NO₆

7-Hydroxy-3-(3-methoxyphenoxy)-8-(morpholinomethyl)-4H-chromen-4-one chemical structure, C21H21NO6, CAS 847160-29-6

7-Hydroxy-3-(3-methoxyphenoxy)-8-(morpholinomethyl)-4H-chromen-4-one847160-29-6C₂₁H₂₁NO₆

7-Hydroxy-3-(2-methoxyphenoxy)-8-(morpholin-4-ylmethyl)chromen-4-one chemical structure, C21H21NO6, CAS 844460-94-2

7-Hydroxy-3-(2-methoxyphenoxy)-8-(morpholin-4-ylmethyl)chromen-4-one844460-94-2C₂₁H₂₁NO₆

Frequently asked questions

Quick answers about (-)-Hydrastine, based on the data on this page

What is (-)-Hydrastine?

Hydrastine is a natural product found in Hydrastis canadensis. It has a role as a metabolite.

What is the CAS number of (-)-Hydrastine?

The CAS registry number of (-)-Hydrastine is 118-08-1. Other or deprecated CAS numbers: 60594-55-0.

What is the molecular formula and weight of (-)-Hydrastine?

The molecular formula of (-)-Hydrastine is C21H21NO6 and its molar mass is 383.40 g/mol.

What is (-)-Hydrastine used for?

Known uses and roles of (-)-Hydrastine include metabolite.

Is (-)-Hydrastine hazardous?

(-)-Hydrastine carries the GHS signal word "Warning". Main hazards: harmful if swallowed, harmful in contact with skin, harmful if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of (-)-Hydrastine?

(-)-Hydrastine is usually classified under HS code 293979 (Alkaloids, natural or reproduced by synthesis, and their salts, ethers, esters and other…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy (-)-Hydrastine?

CompoundList lists 2 suppliers of (-)-Hydrastine in Australia and China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of (-)-Hydrastine?

Suppliers quote (-)-Hydrastine 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 (-)-Hydrastine

(-)-Hydrastine

Key facts

What is (-)-Hydrastine?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Hazard statements

(-)-Hydrastine suppliers

Where suppliers are based

Send one request to many suppliers

(-)-Hydrastine price

Uses and applications

Roles

Regulatory status

Health and food

HS code and trade data

Global trade

Frequently asked questions

What is (-)-Hydrastine?

What is the CAS number of (-)-Hydrastine?

What is the molecular formula and weight of (-)-Hydrastine?

What is (-)-Hydrastine used for?

Is (-)-Hydrastine hazardous?

What is the HS code of (-)-Hydrastine?

Where can I buy (-)-Hydrastine?

What is the price of (-)-Hydrastine?

Guides for buyers

Get quotes for (-)-Hydrastine

Key facts

What is (-)-Hydrastine?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Hazard statements

(-)-Hydrastine suppliers

Where suppliers are based

Send one request to many suppliers

(-)-Hydrastine price

Uses and applications

Roles

Regulatory status

Health and food

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 (-)-Hydrastine?

What is the CAS number of (-)-Hydrastine?

What is the molecular formula and weight of (-)-Hydrastine?

What is (-)-Hydrastine used for?

Is (-)-Hydrastine hazardous?

What is the HS code of (-)-Hydrastine?

Where can I buy (-)-Hydrastine?

What is the price of (-)-Hydrastine?

Guides for buyers

Get quotes for (-)-Hydrastine