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Details

Stereochemistry ACHIRAL
Molecular Formula C15H23NO4
Molecular Weight 281.3474
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(3-AMINO-4-HYDROXY-3-(HYDROXYMETHYL)BUTYL)BENZENEBUTANOIC ACID

SMILES

NC(CO)(CO)CCC1=CC=C(CCCC(O)=O)C=C1

InChI

InChIKey=UMGQPTARMXDHRQ-UHFFFAOYSA-N
InChI=1S/C15H23NO4/c16-15(10-17,11-18)9-8-13-6-4-12(5-7-13)2-1-3-14(19)20/h4-7,17-18H,1-3,8-11,16H2,(H,19,20)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-(3-AMINO-4-HYDROXY-3-(HYDROXYMETHYL)BUTYL)BENZENEBUTANOIC ACID
Systematic Name English
FINGOLIMOD METABOLITE M3
Preferred Name English
BENZENEBUTANOIC ACID, 4-(3-AMINO-4-HYDROXY-3-(HYDROXYMETHYL)BUTYL)-
Systematic Name English
4-(4-(3-AMINO-4-HYDROXY-3-(HYDROXYMETHYL)BUTYL)PHENYL)BUTANOIC ACID
Systematic Name English
Code System Code Type Description
CAS
207113-65-3
Created by admin on Tue Apr 01 23:33:36 GMT 2025 , Edited by admin on Tue Apr 01 23:33:36 GMT 2025
PRIMARY
PUBCHEM
71316994
Created by admin on Tue Apr 01 23:33:36 GMT 2025 , Edited by admin on Tue Apr 01 23:33:36 GMT 2025
PRIMARY
FDA UNII
PUZ5RE93TX
Created by admin on Tue Apr 01 23:33:36 GMT 2025 , Edited by admin on Tue Apr 01 23:33:36 GMT 2025
PRIMARY
PARENT (METABOLITE)
Structure of FINGOLIMOD
NIH
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