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 6-HYDROXY ORANTINIB

SMILES

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

InChI

InChIKey=YEVBDKUJUCJAMN-ZSOIEALJSA-N
InChI=1S/C18H18N2O4/c1-9-12(5-6-17(22)23)10(2)19-15(9)8-14-13-4-3-11(21)7-16(13)20-18(14)24/h3-4,7-8,19,21H,5-6H2,1-2H3,(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 19:07:11 UTC 2023
Edited
by admin
on Sat Dec 16 19:07:11 UTC 2023
Record UNII
GMQ6M46MXD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-HYDROXY ORANTINIB
Common Name English
ORANTINIB METABOLITE M-2
Common Name English
3-(5-((Z)-(6-HYDROXY-2-OXO-INDOLIN-3-YLIDENE)METHYL)-2,4-DIMETHYL-1H-PYRROL-3-YL)PROPANOIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
9949238
Created by admin on Sat Dec 16 19:07:11 UTC 2023 , Edited by admin on Sat Dec 16 19:07:11 UTC 2023
PRIMARY
FDA UNII
GMQ6M46MXD
Created by admin on Sat Dec 16 19:07:11 UTC 2023 , Edited by admin on Sat Dec 16 19:07:11 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
IN VITRO