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Details

Stereochemistry ACHIRAL
Molecular Formula C12H9F3N2O3
Molecular Weight 286.2067
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (2Z)-2-CYANO-3,4-DIHYDROXY-N-(4-(TRIFLUOROMETHYL)PHENYL)-2-BUTENAMIDE

SMILES

OC\C(O)=C(/C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F

InChI

InChIKey=WHYQOFDUXDGMTM-KTKRTIGZSA-N
InChI=1S/C12H9F3N2O3/c13-12(14,15)7-1-3-8(4-2-7)17-11(20)9(5-16)10(19)6-18/h1-4,18-19H,6H2,(H,17,20)/b10-9-

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
(2Z)-2-CYANO-3,4-DIHYDROXY-N-(4-(TRIFLUOROMETHYL)PHENYL)-2-BUTENAMIDE
Systematic Name English
METHYL-OH HMR1726
Common Name English
2-BUTENAMIDE, 2-CYANO-3,4-DIHYDROXY-N-(4-(TRIFLUOROMETHYL)PHENYL)-, (2Z)-
Systematic Name English
TERIFLUNOMIDE METABOLITE M7
Common Name English
Code System Code Type Description
CAS
1058722-45-4
Created by admin on Sat Dec 16 14:57:14 GMT 2023 , Edited by admin on Sat Dec 16 14:57:14 GMT 2023
PRIMARY
PUBCHEM
125392027
Created by admin on Sat Dec 16 14:57:14 GMT 2023 , Edited by admin on Sat Dec 16 14:57:14 GMT 2023
PRIMARY
FDA UNII
NRC7BA9FEK
Created by admin on Sat Dec 16 14:57:14 GMT 2023 , Edited by admin on Sat Dec 16 14:57:14 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of TERIFLUNOMIDE
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