3-(4-Octylphenethyl)-fingolimod

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 3-(4-Octylphenethyl)-fingolimod

Structure Search

SMILES

CCCCCCCCC1=CC=C(CCC2=C(CCCCCCCC)C=CC(CCC(N)(CO)CO)=C2)C=C1

InChI

InChIKey=YRSXESKDUWORBC-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(25-26-35(36,28-37)29-38)22-23-33(34)16-14-12-10-8-6-4-2/h17-20,22-23,27,37-38H,3-16,21,24-26,28-29,36H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name

Type

Language

3-Phenethyl fingolimod analog

Preferred Name

English

3-(4-Octylphenethyl)-fingolimod

Common Name

English

1,3-Propanediol, 2-amino-2-[2-[4-octyl-3-[2-(4-octylphenyl)ethyl]phenyl]ethyl]-

Systematic Name

English

FINGOLIMOD HYDROCHLORIDE IMPURITY F [EP IMPURITY]

Common Name

English

3-Phenethyl fingolimod analog [USP IMPURITY]

Common Name

English

2-amino-2-[2-[4-octyl-3-[2-(4-octylphenyl)ethyl]phenyl]ethyl]propane-1,3-diol

Systematic Name

English

Code System Code Type Description

PUBCHEM

11352968

Created by admin on Wed Apr 02 14:30:55 GMT 2025 , Edited by admin on Wed Apr 02 14:30:55 GMT 2025

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FDA UNII

8QX5UH6MBE

Created by admin on Wed Apr 02 14:30:55 GMT 2025 , Edited by admin on Wed Apr 02 14:30:55 GMT 2025

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CAS

851039-24-2

Created by admin on Wed Apr 02 14:30:55 GMT 2025 , Edited by admin on Wed Apr 02 14:30:55 GMT 2025

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SUBSTANCE RECORD


					8QX5UH6MBE

3-(4-Octylphenethyl)-fingolimod