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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

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=C3C=CC=C4

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

Approval Year

Name Type Language
(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
ORANTINIB METABOLITE M-5
Common Name English
Code System Code Type Description
PUBCHEM
154925669
Created by admin on Sat Dec 16 17:26:37 GMT 2023 , Edited by admin on Sat Dec 16 17:26:37 GMT 2023
PRIMARY
FDA UNII
3XT5L8JVX2
Created by admin on Sat Dec 16 17:26:37 GMT 2023 , Edited by admin on Sat Dec 16 17:26:37 GMT 2023
PRIMARY