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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 7-HYDROXY ORANTINIB

SMILES

CC1=C(CCC(O)=O)C(C)=C(N1)\C=C2/C(=O)NC3=C2C=CC=C3O

InChI

InChIKey=NTSFCHHACMZKEA-JYRVWZFOSA-N
InChI=1S/C18H18N2O4/c1-9-11(6-7-16(22)23)10(2)19-14(9)8-13-12-4-3-5-15(21)17(12)20-18(13)24/h3-5,8,19,21H,6-7H2,1-2H3,(H,20,24)(H,22,23)/b13-8-

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 17:55:55 GMT 2023
Edited
by admin
on Sat Dec 16 17:55:55 GMT 2023
Record UNII
T2AT2JE6GJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-HYDROXY ORANTINIB
Common Name English
3-(5-((Z)-(7-HYDROXY-2-OXO-INDOLIN-3-YLIDENE)METHYL)-2,4-DIMETHYL-1H-PYRROL-3-YL)PROPANOIC ACID
Systematic Name English
ORANTINIB METABOLITE M-3
Common Name English
Code System Code Type Description
FDA UNII
T2AT2JE6GJ
Created by admin on Sat Dec 16 17:55:55 GMT 2023 , Edited by admin on Sat Dec 16 17:55:55 GMT 2023
PRIMARY
PUBCHEM
154699825
Created by admin on Sat Dec 16 17:55:55 GMT 2023 , Edited by admin on Sat Dec 16 17:55:55 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
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