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Details

Stereochemistry ACHIRAL
Molecular Formula C17H27NO4
Molecular Weight 309.4006
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FINGOLIMOD HEXANOIC ACID

SMILES

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

InChI

InChIKey=IBOSMSDOOGFKFH-UHFFFAOYSA-N
InChI=1S/C17H27NO4/c18-17(12-19,13-20)11-10-15-8-6-14(7-9-15)4-2-1-3-5-16(21)22/h6-9,19-20H,1-5,10-13,18H2,(H,21,22)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
FINGOLIMOD HEXANOIC ACID
Common Name English
FINGOLIMOD METABOLITE M2
Preferred Name English
BENZENEHEXANOIC ACID, 4-[3-AMINO-4-HYDROXY-3-(HYDROXYMETHYL)BUTYL]-
Systematic Name English
4-[3-AMINO-4-HYDROXY-3-(HYDROXYMETHYL)BUTYL]BENZENEHEXANOIC ACID
Systematic Name English
6-[4-[3-AMINO-4-HYDROXY-3-(HYDROXYMETHYL)BUTYL]PHENYL]HEXANOIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
71316996
Created by admin on Wed Apr 02 04:33:02 GMT 2025 , Edited by admin on Wed Apr 02 04:33:02 GMT 2025
PRIMARY
FDA UNII
CDR9R2KLH4
Created by admin on Wed Apr 02 04:33:02 GMT 2025 , Edited by admin on Wed Apr 02 04:33:02 GMT 2025
PRIMARY
CAS
207113-64-2
Created by admin on Wed Apr 02 04:33:02 GMT 2025 , Edited by admin on Wed Apr 02 04:33:02 GMT 2025
PRIMARY
PARENT (METABOLITE)
Structure of FINGOLIMOD
NIH
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