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Details

Stereochemistry ACHIRAL
Molecular Formula C35H57NO2
Molecular Weight 523.8326
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-Octylphenethyl)-fingolimod

SMILES

CCCCCCCCC1=CC=C(CCC2=CC(CCCCCCCC)=CC=C2CCC(N)(CO)CO)C=C1

InChI

InChIKey=OJVJMONXMLQUEN-UHFFFAOYSA-N
InChI=1S/C35H57NO2/c1-3-5-7-9-11-13-15-30-17-19-31(20-18-30)21-24-34-27-32(16-14-12-10-8-6-4-2)22-23-33(34)25-26-35(36,28-37)29-38/h17-20,22-23,27,37-38H,3-16,21,24-26,28-29,36H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C35H57NO2
Molecular Weight 523.8326
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:13:27 GMT 2023
Edited
by admin
on Sat Dec 16 11:13:27 GMT 2023
Record UNII
P7GL7FBD9G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-Octylphenethyl)-fingolimod
Common Name English
2-Phenethyl fingolimod analog [USP IMPURITY]
Common Name English
1,3-Propanediol, 2-amino-2-[2-[4-octyl-2-[2-(4-octylphenyl)ethyl]phenyl]ethyl]-
Systematic Name English
2-Phenethyl fingolimod analog
Common Name English
FINGOLIMOD HYDROCHLORIDE IMPURITY E [EP IMPURITY]
Common Name English
2-amino-2-[2-[4-octyl-2-[2-(4-octylphenyl)ethyl]phenyl]ethyl]propane-1,3-diol
Systematic Name English
Code System Code Type Description
PUBCHEM
11477977
Created by admin on Sat Dec 16 11:13:27 GMT 2023 , Edited by admin on Sat Dec 16 11:13:27 GMT 2023
PRIMARY
FDA UNII
P7GL7FBD9G
Created by admin on Sat Dec 16 11:13:27 GMT 2023 , Edited by admin on Sat Dec 16 11:13:27 GMT 2023
PRIMARY
CAS
851039-25-3
Created by admin on Sat Dec 16 11:13:27 GMT 2023 , Edited by admin on Sat Dec 16 11:13:27 GMT 2023
PRIMARY
Related Record Type Details
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PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP