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Details

Stereochemistry ACHIRAL
Molecular Formula C29H35F3N2O3
Molecular Weight 518.5876
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SIPONIMOD C-14

SMILES

CCC1=CC(=CC=C1CN2CC(C2)C(O)=O)C(\[14CH3])=N\OCC3=CC=C(C4CCCCC4)C(=C3)C(F)(F)F

InChI

InChIKey=KIHYPELVXPAIDH-IBFJEQGISA-N
InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+/i2+2

HIDE SMILES / InChI

Approval Year

Name Type Language
SIPONIMOD C-14
Common Name English
3-AZETIDINECARBOXYLIC ACID, 1-((4-((1E)-1-(((4-CYCLOHEXYL-3-(TRIFLUOROMETHYL)PHENYL)METHOXY)IMINO)2-(14C)ETHYL)-2-ETHYLPHENYL)METHYL)-
Systematic Name English
Code System Code Type Description
CAS
1799741-53-9
Created by admin on Sat Dec 16 14:55:52 GMT 2023 , Edited by admin on Sat Dec 16 14:55:52 GMT 2023
PRIMARY
FDA UNII
3Q486AE021
Created by admin on Sat Dec 16 14:55:52 GMT 2023 , Edited by admin on Sat Dec 16 14:55:52 GMT 2023
PRIMARY
PUBCHEM
146048048
Created by admin on Sat Dec 16 14:55:52 GMT 2023 , Edited by admin on Sat Dec 16 14:55:52 GMT 2023
PRIMARY