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Details

Stereochemistry ACHIRAL
Molecular Formula C19H31NO4
Molecular Weight 337.4537
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FINGOLIMOD OCTANOIC ACID

SMILES

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

InChI

InChIKey=JVTFHBJPCUOROC-UHFFFAOYSA-N
InChI=1S/C19H31NO4/c20-19(14-21,15-22)13-12-17-10-8-16(9-11-17)6-4-2-1-3-5-7-18(23)24/h8-11,21-22H,1-7,12-15,20H2,(H,23,24)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
FINGOLIMOD OCTANOIC ACID
Common Name English
FINGOLIMOD METABOLITE M1
Preferred Name English
BENZENEOCTANOIC ACID, 4-(3-AMINO-4-HYDROXY-3-(HYDROXYMETHYL)BUTYL)-
Systematic Name English
8-(4-(3-AMINO-4-HYDROXY-3-(HYDROXYMETHYL)BUTYL)PHENYL)OCTANOIC ACID
Systematic Name English
4-(3-AMINO-4-HYDROXY-3-(HYDROXYMETHYL)BUTYL)BENZENEOCTANOIC ACID
Systematic Name English
Code System Code Type Description
CAS
207113-62-0
Created by admin on Tue Apr 01 23:33:35 GMT 2025 , Edited by admin on Tue Apr 01 23:33:35 GMT 2025
PRIMARY
PUBCHEM
71316992
Created by admin on Tue Apr 01 23:33:35 GMT 2025 , Edited by admin on Tue Apr 01 23:33:35 GMT 2025
PRIMARY
FDA UNII
O1T4NAT0IU
Created by admin on Tue Apr 01 23:33:35 GMT 2025 , Edited by admin on Tue Apr 01 23:33:35 GMT 2025
PRIMARY
PARENT (METABOLITE)
Structure of FINGOLIMOD
NIH
NCATS
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