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Details

Stereochemistry ACHIRAL
Molecular Formula C15H20N2O3
Molecular Weight 276.3309
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

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

SMILES

CCC1=CC(=CC=C1CN2CC(C2)C(O)=O)C(\C)=N\O

InChI

InChIKey=OMRBJMMZZYRQPA-MHWRWJLKSA-N
InChI=1S/C15H20N2O3/c1-3-11-6-12(10(2)16-20)4-5-13(11)7-17-8-14(9-17)15(18)19/h4-6,14,20H,3,7-9H2,1-2H3,(H,18,19)/b16-10+

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1-((2-ETHYL-4-((E)-N-HYDROXY-C-METHYL-CARBONIMIDOYL)PHENYL)METHYL)AZETIDINE-3-CARBOXYLIC ACID
Systematic Name English
SIPONIMOD METABOLITE M2
Common Name English
Code System Code Type Description
PUBCHEM
145349420
Created by admin on Sat Dec 16 16:04:54 GMT 2023 , Edited by admin on Sat Dec 16 16:04:54 GMT 2023
PRIMARY
FDA UNII
IYJ74XG6HA
Created by admin on Sat Dec 16 16:04:54 GMT 2023 , Edited by admin on Sat Dec 16 16:04:54 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of Siponimod
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