(2S)-2-(1-(AMINOMETHYL)-2-HYDROXY-8-(HYDROXYMETHYL)-9-OXO-11H-INDOLIZINO(1,2-B)QUINOLIN-7-YL)-2-HYDROXY-BUTANOIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H21N3O6
Molecular Weight	411.4079
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S)-2-(1-(AMINOMETHYL)-2-HYDROXY-8-(HYDROXYMETHYL)-9-OXO-11H-INDOLIZINO(1,2-B)QUINOLIN-7-YL)-2-HYDROXY-BUTANOIC ACID

Structure Search

SMILES

CC[C@@](O)(C(O)=O)C1=C(CO)C(=O)N2CC3=C(N=C4C=CC(O)=C(CN)C4=C3)C2=C1

InChI

InChIKey=CHLSMALMJUSWBD-NRFANRHFSA-N

InChI=1S/C21H21N3O6/c1-2-21(30,20(28)29)14-6-16-18-10(8-24(16)19(27)13(14)9-25)5-11-12(7-22)17(26)4-3-15(11)23-18/h3-6,25-26,30H,2,7-9,22H2,1H3,(H,28,29)/t21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H21N3O6
Molecular Weight	411.4079
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 `Tue Apr 01 21:20:04 GMT 2025` Edited by `admin` on `Tue Apr 01 21:20:04 GMT 2025`
Record UNII	YYA669S2PA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2S)-2-(1-(AMINOMETHYL)-2-HYDROXY-8-(HYDROXYMETHYL)-9-OXO-11H-INDOLIZINO(1,2-B)QUINOLIN-7-YL)-2-HYDROXY-BUTANOIC ACID

Preferred Name

English

Code System Code Type Description

PUBCHEM

156613598

Created by admin on Tue Apr 01 21:20:04 GMT 2025 , Edited by admin on Tue Apr 01 21:20:04 GMT 2025

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FDA UNII

YYA669S2PA

Created by admin on Tue Apr 01 21:20:04 GMT 2025 , Edited by admin on Tue Apr 01 21:20:04 GMT 2025

PRIMARY

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TOPOTECAN

PARENT -> METABOLITE ACTIVE

Comments:

Dealkylated metabolite.