U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C18H18N2O4
Molecular Weight 326.3465
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 5-HYDROXY ORANTINIB

SMILES

CC1=C(CCC(O)=O)C(C)=C(N1)\C=C2/C(=O)NC3=C2C=C(O)C=C3

InChI

InChIKey=APJYZRJDCRLKDI-ZSOIEALJSA-N
InChI=1S/C18H18N2O4/c1-9-12(4-6-17(22)23)10(2)19-16(9)8-14-13-7-11(21)3-5-15(13)20-18(14)24/h3,5,7-8,19,21H,4,6H2,1-2H3,(H,20,24)(H,22,23)/b14-8-

HIDE SMILES / InChI

Molecular Formula C18H18N2O4
Molecular Weight 326.3465
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:15:17 GMT 2023
Edited
by admin
on Sat Dec 16 18:15:17 GMT 2023
Record UNII
6PSK8D7DFR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-HYDROXY ORANTINIB
Common Name English
3-(5-((Z)-(5-HYDROXY-2-OXO-INDOLIN-3-YLIDENE)METHYL)-2,4-DIMETHYL-1H-PYRROL-3-YL)PROPANOIC ACID
Systematic Name English
ORANTINIB METABOLITE M-1
Common Name English
Code System Code Type Description
FDA UNII
6PSK8D7DFR
Created by admin on Sat Dec 16 18:15:17 GMT 2023 , Edited by admin on Sat Dec 16 18:15:17 GMT 2023
PRIMARY
PUBCHEM
154699483
Created by admin on Sat Dec 16 18:15:17 GMT 2023 , Edited by admin on Sat Dec 16 18:15:17 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
IN VITRO