(2S,3S,4S,5R,6S)-6-(3-(2,4-DIMETHYL-5-((Z)-(2-OXOINDOLIN-3-YLIDENE)METHYL)-1H-PYRROL-3-YL)PROPANOYLOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H26N2O9
Molecular Weight	486.4712
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R,6S)-6-(3-(2,4-DIMETHYL-5-((Z)-(2-OXOINDOLIN-3-YLIDENE)METHYL)-1H-PYRROL-3-YL)PROPANOYLOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

CC1=C(CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C(C)=C(N1)\C=C3/C(=O)NC4=CC=CC=C34

InChI

InChIKey=KMLPMBWQVSCYBV-RBDWJNNPSA-N

InChI=1S/C24H26N2O9/c1-10-12(7-8-17(27)34-24-20(30)18(28)19(29)21(35-24)23(32)33)11(2)25-16(10)9-14-13-5-3-4-6-15(13)26-22(14)31/h3-6,9,18-21,24-25,28-30H,7-8H2,1-2H3,(H,26,31)(H,32,33)/b14-9-/t18-,19-,20+,21-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H26N2O9
Molecular Weight	486.4712
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 09:06:25 GMT 2025` Edited by `admin` on `Wed Apr 02 09:06:25 GMT 2025`
Record UNII	3XT5L8JVX2
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ORANTINIB METABOLITE M-5

Preferred Name

English

(2S,3S,4S,5R,6S)-6-(3-(2,4-DIMETHYL-5-((Z)-(2-OXOINDOLIN-3-YLIDENE)METHYL)-1H-PYRROL-3-YL)PROPANOYLOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

154925669

Created by admin on Wed Apr 02 09:06:25 GMT 2025 , Edited by admin on Wed Apr 02 09:06:25 GMT 2025

PRIMARY

FDA UNII

3XT5L8JVX2

Created by admin on Wed Apr 02 09:06:25 GMT 2025 , Edited by admin on Wed Apr 02 09:06:25 GMT 2025

PRIMARY

Related Record Type Details


					9RL37ZZ665

ORANTINIB

PARENT -> METABOLITE

Comments:

IN VITRO