N-DESMETHYL TOPOTECAN-O-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H29N3O11
Molecular Weight	583.5434
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-DESMETHYL TOPOTECAN-O-GLUCURONIDE

Structure Search

SMILES

CC[C@@]1(O)C(=O)OCC2=C1C=C3N(CC4=CC5=C(C=CC(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)=C5CNC)N=C34)C2=O

InChI

InChIKey=WTAVPACBIXXXHE-CAYKMONMSA-N

InChI=1S/C28H29N3O11/c1-3-28(39)15-7-17-19-11(9-31(17)24(35)14(15)10-40-27(28)38)6-12-13(8-29-2)18(5-4-16(12)30-19)41-26-22(34)20(32)21(33)23(42-26)25(36)37/h4-7,20-23,26,29,32-34,39H,3,8-10H2,1-2H3,(H,36,37)/t20-,21-,22+,23-,26+,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H29N3O11
Molecular Weight	583.5434
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:45:16 GMT 2025` Edited by `admin` on `Mon Mar 31 22:45:16 GMT 2025`
Record UNII	YFR4KEW2Z3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-DESMETHYL TOPOTECAN-O-GLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (4S)-4-ETHYL-3,4,12,14-TETRAHYDRO-4-HYDROXY-10-((METHYLAMINO)METHYL)-3,14-DIOXO-1H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLIN-9-YL

Preferred Name

English

Code System Code Type Description

FDA UNII

YFR4KEW2Z3

Created by admin on Mon Mar 31 22:45:16 GMT 2025 , Edited by admin on Mon Mar 31 22:45:16 GMT 2025

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PUBCHEM

155928866

Created by admin on Mon Mar 31 22:45:16 GMT 2025 , Edited by admin on Mon Mar 31 22:45:16 GMT 2025

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CAS

219125-85-6

Created by admin on Mon Mar 31 22:45:16 GMT 2025 , Edited by admin on Mon Mar 31 22:45:16 GMT 2025

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TOPOTECAN

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