Exatecan (CAS 171335-80-1): price, suppliers and safety

What is Exatecan?

Plain description, key identifiers and synonyms

Exatecan is a pyranoindolizinoquinoline.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: (10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
CAS number: 171335-80-1 CAS number cross-checkedOther or deprecated CAS: 169869-90-3
EC number: 112-705-1
Molecular formula: C₂₄H₂₂FN₃O₄
UNII: OC71PP0F89
MDL number: MFCD00926120
InChIKey: ZVYVPGLRVWUPMP-FYSMJZIKSA-N
InChI: InChI=1S/C24H22FN3O4/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19/h6-7,16,31H,3-5,8-9,26H2,1-2H3/t16-,24-/m0/s1
Canonical SMILES: CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2C(N)CC3
Isomeric SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O

Synonyms

(1S,9S)-1-Amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-10H,13H-benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-10,13-dione
(1s,9s)-1-amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-10h,13h-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione
(1S,9S)-1-amino-9-ethyl-5-fluoro-2,3-dihydro-9-hydroxy-4-methyl-1H,12H-benzo(de)pyrano(3',4'-6,7)indolizino(1,2-b)quinoline-10,13(9H,15H)dione methanesulfonate
(1S,9S)-1-amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-2,3,12,15-tetrahydrobenzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13(1H,9H)-dione
(1S,9S)-1-amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-1,2,3,9,12,15-hexahydro-10H,13H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione
Dx 8951
exatecan-mesylate
Exatecan free base
Exatecan (Standard)
Irinotecan Impurity 36, Exatecan
10H,13H-Benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-10,13-dione, 1-amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-, (1S,9S)-
10H,13H-Benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-10,13-dione, 1-amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-, (1S-trans)-
DX 8951, DX 8951, DX 8951, Exatecan free base

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	435.46 g/molcalc.
Exact mass	435.1594 Dacalc.
LogP (octanol/water)	2.47calc.
Topological polar surface area	107.4 Å²calc.
Hydrogen bond donors	2calc.
Hydrogen bond acceptors	6calc.
Rotatable bonds	1calc.
Heavy atoms	32calc.
Rings	6calc.
Aromatic rings	3calc.
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=C1Cc2cc3n(c(=O)c2CO1)Cc1c-3nc2cccc3c2c1CCC3

6 rings, 26 atoms.

78 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word

Danger

Acute toxicity (severe)

Serious health hazard

Hazard statements

H300Fatal if swallowed.
H340May cause genetic defects.
H360FMay damage fertility.

Precautionary statements (10)

P203Obtain, read and follow all safety instructions before use.
P264Wash skin thoroughly after handling.
P270Do not eat, drink or smoke when using this product.
P280Wear protective gloves, protective clothing, eye protection and face protection.
P301 + P316If swallowed: Get emergency medical help immediately.
P318If exposed or concerned, get medical advice.
P321Specific treatment (see supplemental first aid instructions on the label).
P330Rinse mouth.
P405Store locked up.
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

Exatecan suppliers

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

All 7 suppliers

Verified only7 of 7 offers

Chemvon Biotechnology (Shanghai) Co. Ltd.
China, Shanghai ManufacturerUnclaimed profile
ExatecanGrade, purity and minimum order on request
Price on request
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Shochem (Shanghai) Co., Ltd
ChinaUnclaimed profile
ExatecanGrade, purity and minimum order on request
Price on request
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AbovChem LLC
United States, CranburyUnclaimed profile
ExatecanGrade, purity and minimum order on request
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BroadPharm
United States, San DiegoUnclaimed profile
ExatecanGrade, purity and minimum order on request
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Excenen Pharmatech Co., Ltd.
China, GuangzhouUnclaimed profile
ExatecanGrade, purity and minimum order on request
Price on request
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Glixx Labs, Inc
United States, HopkintonUnclaimed profile
ExatecanGrade, purity and minimum order on request
Price on request
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Hunan Chemfish Pharmaceutical Co., Ltd.
China, ChangshaUnclaimed profile
ExatecanGrade, purity and minimum order on request
Price on request
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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

7 suppliers in 2 countries

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Exatecan 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

Pharmacological actions

Topoisomerase I Inhibitors

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 Exatecan is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024

$26.7B

+15.0% vs 2023, imports $26.3B

2019 to 2024

Top exporters

Ireland26.3%
China15.7%
Singapore10.3%

Top importers

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

The HS code shown for Exatecan 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

Exatecan mesylate chemical structure, C25H30FN3O9S, CAS 197720-53-9

Exatecan mesylate197720-53-9C₂₅H₃₀FN₃O₉S12 suppliers

Exatecan mesylate anhydrous chemical structure, C25H26FN3O7S, CAS 169869-90-3

Exatecan mesylate anhydrous169869-90-3C₂₅H₂₆FN₃O₇S6 suppliers

Exatecan hydrochloride chemical structure, C24H23ClFN3O4, CAS 144008-87-7

Exatecan hydrochloride144008-87-7C₂₄H₂₃ClFN₃O₄

Stereoisomers and isotopic forms

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

(1R,9R)-1-Amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-1,2,3,9,12,15-hexahydro-10H,13H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione chemical structure, C24H22FN3O4, CAS 2489613-15-0

(1R,9R)-1-Amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-1,2,3,9,12,15-hexahydro-10H,13H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione2489613-15-0C₂₄H₂₂FN₃O₄

(1R,9S)-1-Amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-1,2,3,9,12,15-hexahydro-10H,13H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione chemical structure, C24H22FN3O4, CAS 2231666-57-0

(1R,9S)-1-Amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-1,2,3,9,12,15-hexahydro-10H,13H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione2231666-57-0C₂₄H₂₂FN₃O₄

(1S,9R)-1-Amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-1,2,3,9,12,15-hexahydro-10H,13H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione chemical structure, C24H22FN3O4, CAS 2489613-17-2

(1S,9R)-1-Amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-1,2,3,9,12,15-hexahydro-10H,13H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione2489613-17-2C₂₄H₂₂FN₃O₄

(9S)-1-Amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-1,2,3,9,12,15-hexahydro-10H,13H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione chemical structure, C24H22FN3O4, CAS 367452-96-8

(9S)-1-Amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-1,2,3,9,12,15-hexahydro-10H,13H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione367452-96-8C₂₄H₂₂FN₃O₄

Exatecan-d5 chemical structure, C24H22FN3O4, CAS 2819276-87-2

Exatecan-d52819276-87-2C₂₄H₂₂FN₃O₄

Similar structures

Nearest neighbours by Morgan fingerprint Tanimoto similarity

Exatecan-d5 mesylate chemical structure, C25H26FN3O7S, CAS 2819276-88-3

RefChem:1090667 chemical structure, C26H24FN3O6, CAS 1599440-33-1

Same formula isomers

Different compounds that share this molecular formula

All isomers

4-(3-Fluoro-4-methoxybenzoyl)-3-hydroxy-1-(3-(1H-imidazol-1-yl)propyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one chemical structure, C24H22FN3O4, CAS 618075-07-3

4-(3-Fluoro-4-methoxybenzoyl)-3-hydroxy-1-(3-(1H-imidazol-1-yl)propyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one618075-07-3C₂₄H₂₂FN₃O₄

(4E)-4-[(3-Fluoro-4-methylphenyl)-hydroxymethylidene]-5-(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione chemical structure, C24H22FN3O4, CAS 879188-80-4

(4E)-4-[(3-Fluoro-4-methylphenyl)-hydroxymethylidene]-5-(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione879188-80-4C₂₄H₂₂FN₃O₄

4-(3-Fluoro-4-methylbenzoyl)-3-hydroxy-5-(3-hydroxyphenyl)-1-[3-(1H-imidazol-1-yl)propyl]-2,5-dihydro-1H-pyrrol-2-one chemical structure, C24H22FN3O4

4-(3-Fluoro-4-methylbenzoyl)-3-hydroxy-5-(3-hydroxyphenyl)-1-[3-(1H-imidazol-1-yl)propyl]-2,5-dihydro-1H-pyrrol-2-oneC₂₄H₂₂FN₃O₄

$N-Cyclohexyl-2-[5-(4-fluorophenyl)-4,6-dioxo-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),10,12-tetraen-3-yl]acetamide chemical structure, C24H22FN3O4, CAS 877657-29-9$

N-Cyclohexyl-2-[5-(4-fluorophenyl)-4,6-dioxo-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),10,12-tetraen-3-yl]acetamide877657-29-9C₂₄H₂₂FN₃O₄

2-(2-(4-(2-(4-Fluorophenyl)cyclopropanecarbonyl)piperazin-1-yl)-2-oxoethyl)isoindoline-1,3-dione chemical structure, C24H22FN3O4, CAS 1210168-34-5

2-(2-(4-(2-(4-Fluorophenyl)cyclopropanecarbonyl)piperazin-1-yl)-2-oxoethyl)isoindoline-1,3-dione1210168-34-5C₂₄H₂₂FN₃O₄

N-(2-(7-(Benzyloxy)-1,8-dioxo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2(8H)-yl)ethyl)-2-fluorobenzamide chemical structure, C24H22FN3O4, CAS 1040633-53-1

N-(2-(7-(Benzyloxy)-1,8-dioxo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2(8H)-yl)ethyl)-2-fluorobenzamide1040633-53-1C₂₄H₂₂FN₃O₄

4-Fluoro-N-[4-({2-[(2-methoxyphenyl)formamido]ethyl}carbamoyl)phenyl]benzamide chemical structure, C24H22FN3O4, CAS 1021207-16-8

4-Fluoro-N-[4-({2-[(2-methoxyphenyl)formamido]ethyl}carbamoyl)phenyl]benzamide1021207-16-8C₂₄H₂₂FN₃O₄

3-(3,4-Dimethoxyphenethyl)-1-(3-fluorobenzyl)pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C24H22FN3O4, CAS 923165-50-8

3-(3,4-Dimethoxyphenethyl)-1-(3-fluorobenzyl)pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione923165-50-8C₂₄H₂₂FN₃O₄

N-(2-(7-(Benzyloxy)-1,8-dioxo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2(8H)-yl)ethyl)-3-fluorobenzamide chemical structure, C24H22FN3O4, CAS 1040633-59-7

N-(2-(7-(Benzyloxy)-1,8-dioxo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2(8H)-yl)ethyl)-3-fluorobenzamide1040633-59-7C₂₄H₂₂FN₃O₄

5-(2-Fluorophenyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(4-methoxybenzoyl)-2,5-dihydro-1H-pyrrol-2-one chemical structure, C24H22FN3O4, CAS 371203-33-7

5-(2-Fluorophenyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(4-methoxybenzoyl)-2,5-dihydro-1H-pyrrol-2-one371203-33-7C₂₄H₂₂FN₃O₄

5-(4-Fluorophenyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(4-methoxybenzoyl)-2,5-dihydro-1H-pyrrol-2-one chemical structure, C24H22FN3O4, CAS 371922-78-0

5-(4-Fluorophenyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(4-methoxybenzoyl)-2,5-dihydro-1H-pyrrol-2-one371922-78-0C₂₄H₂₂FN₃O₄

N-[(Z)-1-[4-[(4-Fluorobenzoyl)amino]phenyl]ethylideneamino]-3,4-dimethoxybenzamide chemical structure, C24H22FN3O4, CAS 444999-07-9

N-[(Z)-1-[4-[(4-Fluorobenzoyl)amino]phenyl]ethylideneamino]-3,4-dimethoxybenzamide444999-07-9C₂₄H₂₂FN₃O₄

Frequently asked questions

Quick answers about Exatecan, based on the data on this page

What is Exatecan?

Exatecan is a pyranoindolizinoquinoline.

What is the CAS number of Exatecan?

The CAS registry number of Exatecan is 171335-80-1. Other or deprecated CAS numbers: 169869-90-3.

What is the molecular formula and weight of Exatecan?

The molecular formula of Exatecan is C24H22FN3O4 and its molar mass is 435.46 g/mol.

What is Exatecan used for?

Known uses and roles of Exatecan include topoisomerase i inhibitors.

Is Exatecan hazardous?

Exatecan carries the GHS signal word "Danger". Main hazards: fatal if swallowed, may cause genetic defects, may damage fertility. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Exatecan?

Exatecan is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Exatecan?

CompoundList lists 7 suppliers of Exatecan in China and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Exatecan?

Suppliers quote Exatecan 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 Exatecan

Exatecan

Key facts

What is Exatecan?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Hazard statements

Exatecan suppliers

Where suppliers are based

Send one request to many suppliers

Exatecan price

Uses and applications

Pharmacological actions

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Exatecan?

What is the CAS number of Exatecan?

What is the molecular formula and weight of Exatecan?

What is Exatecan used for?

Is Exatecan hazardous?

What is the HS code of Exatecan?

Where can I buy Exatecan?

What is the price of Exatecan?

Guides for buyers

Get quotes for Exatecan

Key facts

What is Exatecan?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Hazard statements

Exatecan suppliers

Where suppliers are based

Send one request to many suppliers

Exatecan price

Uses and applications

Pharmacological actions

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 Exatecan?

What is the CAS number of Exatecan?

What is the molecular formula and weight of Exatecan?

What is Exatecan used for?

Is Exatecan hazardous?

What is the HS code of Exatecan?

Where can I buy Exatecan?

What is the price of Exatecan?

Guides for buyers

Get quotes for Exatecan