TOPOTECANCARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H25N3O6
Molecular Weight	439.4611
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@@](O)(C(O)=O)C1=C(CO)C(=O)N2CC3=CC4=C(CN(C)C)C(O)=CC=C4N=C3C2=C1

InChI

InChIKey=DPQJTQJZJNYUEC-QHCPKHFHSA-N

InChI=1S/C23H25N3O6/c1-4-23(32,22(30)31)16-8-18-20-12(9-26(18)21(29)15(16)11-27)7-13-14(10-25(2)3)19(28)6-5-17(13)24-20/h5-8,27-28,32H,4,9-11H2,1-3H3,(H,30,31)/t23-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H25N3O6
Molecular Weight	439.4611
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:33:36 GMT 2023` Edited by `admin` on `Sat Dec 16 13:33:36 GMT 2023`
Record UNII	V2Q5PG98DR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TOPOTECANCARBOXYLIC ACID

Common Name

English

SKF 105992

Code

English

INDOLIZINO(1,2-B)QUINOLINE-7-ACETIC ACID, 1-((DIMETHYLAMINO)METHYL)-.ALPHA.-ETHYL-9,11-DIHYDRO-.ALPHA.,2-DIHYDROXY-8-(HYDROXYMETHYL)-9-OXO-, (.ALPHA.S)-

Systematic Name

English

HYDROTOPOTECAN

Common Name

English

Code System Code Type Description

FDA UNII

V2Q5PG98DR

Created by admin on Sat Dec 16 13:33:36 GMT 2023 , Edited by admin on Sat Dec 16 13:33:36 GMT 2023

PRIMARY

CAS

132877-29-3

Created by admin on Sat Dec 16 13:33:36 GMT 2023 , Edited by admin on Sat Dec 16 13:33:36 GMT 2023

PRIMARY

EPA CompTox

DTXSID20157828

Created by admin on Sat Dec 16 13:33:36 GMT 2023 , Edited by admin on Sat Dec 16 13:33:36 GMT 2023

PRIMARY

PUBCHEM

183113

Created by admin on Sat Dec 16 13:33:36 GMT 2023 , Edited by admin on Sat Dec 16 13:33:36 GMT 2023

PRIMARY

Related Record Type Details


					7M7YKX2N15

TOPOTECAN

PARENT -> METABOLITE LESS ACTIVE

Comments:

Dihydroxy acid metabolite from Hydrolysis


					KG4PRF4VUS

7-ETHYL-10-(4-AMINO-1-PIPERIDINO)CARBONYLOXYCAMPTOTHECIN

METABOLITE INACTIVE -> PARENT