EXATECAN

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H22FN3O4
Molecular Weight	435.4476
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of EXATECAN

Structure Search

SMILES

CC[C@@]1(O)C(=O)OCC2=C1C=C3N(CC4=C3N=C5C=C(F)C(C)=C6CC[C@H](N)C4=C56)C2=O

InChI

InChIKey=ZVYVPGLRVWUPMP-FYSMJZIKSA-N

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

HIDE SMILES / InChI

Molecular Formula	C24H22FN3O4
Molecular Weight	435.4476
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:38:41 UTC 2023` Edited by `admin` on `Fri Dec 15 16:38:41 UTC 2023`
Record UNII	OC71PP0F89
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EXATECAN

Official Name

English

Exatecan [WHO-DD]

Common Name

English

exatecan [INN]

Common Name

English

(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

Systematic Name

English

DX-8951

Code

English

EXATECAN [MI]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2843

Created by admin on Fri Dec 15 16:38:41 UTC 2023 , Edited by admin on Fri Dec 15 16:38:41 UTC 2023

Code System Code Type Description

FDA UNII

OC71PP0F89

Created by admin on Fri Dec 15 16:38:41 UTC 2023 , Edited by admin on Fri Dec 15 16:38:41 UTC 2023

PRIMARY

DRUG CENTRAL

1120

Created by admin on Fri Dec 15 16:38:41 UTC 2023 , Edited by admin on Fri Dec 15 16:38:41 UTC 2023

PRIMARY

ChEMBL

CHEMBL1614650

Created by admin on Fri Dec 15 16:38:41 UTC 2023 , Edited by admin on Fri Dec 15 16:38:41 UTC 2023

PRIMARY

MERCK INDEX

m1148

Created by admin on Fri Dec 15 16:38:41 UTC 2023 , Edited by admin on Fri Dec 15 16:38:41 UTC 2023

PRIMARY

Merck Index

INN

7887

Created by admin on Fri Dec 15 16:38:41 UTC 2023 , Edited by admin on Fri Dec 15 16:38:41 UTC 2023

PRIMARY

SMS_ID

100000157737

Created by admin on Fri Dec 15 16:38:41 UTC 2023 , Edited by admin on Fri Dec 15 16:38:41 UTC 2023

PRIMARY

MESH

C095887

Created by admin on Fri Dec 15 16:38:41 UTC 2023 , Edited by admin on Fri Dec 15 16:38:41 UTC 2023

PRIMARY

EPA CompTox

DTXSID60169061

Created by admin on Fri Dec 15 16:38:41 UTC 2023 , Edited by admin on Fri Dec 15 16:38:41 UTC 2023

PRIMARY

EVMPD

SUB166275

Created by admin on Fri Dec 15 16:38:41 UTC 2023 , Edited by admin on Fri Dec 15 16:38:41 UTC 2023

PRIMARY

CAS

171335-80-1

Created by admin on Fri Dec 15 16:38:41 UTC 2023 , Edited by admin on Fri Dec 15 16:38:41 UTC 2023

PRIMARY

WIKIPEDIA

EXATECAN

Created by admin on Fri Dec 15 16:38:41 UTC 2023 , Edited by admin on Fri Dec 15 16:38:41 UTC 2023

PRIMARY

DRUG BANK

DB12185

Created by admin on Fri Dec 15 16:38:41 UTC 2023 , Edited by admin on Fri Dec 15 16:38:41 UTC 2023

PRIMARY

NCI_THESAURUS

C66720

Created by admin on Fri Dec 15 16:38:41 UTC 2023 , Edited by admin on Fri Dec 15 16:38:41 UTC 2023

PRIMARY

PUBCHEM

151115

Created by admin on Fri Dec 15 16:38:41 UTC 2023 , Edited by admin on Fri Dec 15 16:38:41 UTC 2023

PRIMARY

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EXATECAN

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Amount: