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Details

Stereochemistry MIXED
Molecular Formula C29H35F3N2O4
Molecular Weight 532.5944
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1-((2-ETHYL-4-((E)-N-((4-(3-HYDROXYCYCLOHEXYL)-3-(TRIFLUOROMETHYL)PHENYL)METHOXY)-C-METHYL-CARBONIMIDOYL)PHENYL)METHYL)AZETIDINE-3-CARBOXYLIC ACID

SMILES

CCC1=CC(=CC=C1CN2CC(C2)C(O)=O)C(\C)=N\OCC3=CC=C(C4CCCC(O)C4)C(=C3)C(F)(F)F

InChI

InChIKey=WTXQVRPNJQGYAO-DPNNOFEESA-N
InChI=1S/C29H35F3N2O4/c1-3-20-12-21(8-9-23(20)14-34-15-24(16-34)28(36)37)18(2)33-38-17-19-7-10-26(27(11-19)29(30,31)32)22-5-4-6-25(35)13-22/h7-12,22,24-25,35H,3-6,13-17H2,1-2H3,(H,36,37)/b33-18+

HIDE SMILES / InChI

Molecular Formula C29H35F3N2O4
Molecular Weight 532.5944
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:33:53 GMT 2023
Edited
by admin
on Sat Dec 16 16:33:53 GMT 2023
Record UNII
PC4SH8VA4V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-((2-ETHYL-4-((E)-N-((4-(3-HYDROXYCYCLOHEXYL)-3-(TRIFLUOROMETHYL)PHENYL)METHOXY)-C-METHYL-CARBONIMIDOYL)PHENYL)METHYL)AZETIDINE-3-CARBOXYLIC ACID
Systematic Name English
SIPONIMOD METABOLITE M6
Common Name English
Code System Code Type Description
FDA UNII
PC4SH8VA4V
Created by admin on Sat Dec 16 16:33:53 GMT 2023 , Edited by admin on Sat Dec 16 16:33:53 GMT 2023
PRIMARY
PUBCHEM
155928780
Created by admin on Sat Dec 16 16:33:53 GMT 2023 , Edited by admin on Sat Dec 16 16:33:53 GMT 2023
PRIMARY
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