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Details

Stereochemistry ACHIRAL
Molecular Formula C17H29NO2
Molecular Weight 279.4177
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DES(OCTYL)HEXYL FINGOLIMOD

SMILES

CCCCCCC1=CC=C(CCC(N)(CO)CO)C=C1

InChI

InChIKey=RJIZHSCCANOPCD-UHFFFAOYSA-N
InChI=1S/C17H29NO2/c1-2-3-4-5-6-15-7-9-16(10-8-15)11-12-17(18,13-19)14-20/h7-10,19-20H,2-6,11-14,18H2,1H3

HIDE SMILES / InChI

Molecular Formula C17H29NO2
Molecular Weight 279.4177
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 11:13:28 GMT 2023
Edited
by admin
on Sat Dec 16 11:13:28 GMT 2023
Record UNII
3MF3OW1XK9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DES(OCTYL)HEXYL FINGOLIMOD
Common Name English
1,3-PROPANEDIOL, 2-AMINO-2-(2-(4-HEXYLPHENYL)ETHYL)-
Systematic Name English
FINGOLIMOD HEXYL HOMOLOG
Common Name English
FINGOLIMOD HYDROCHLORIDE IMPURITY A [EP IMPURITY]
Common Name English
2-AMINO-2-(2-(4-HEXYLPHENYL)ETHYL)-1,3-PROPANEDIOL
Systematic Name English
FINGOLIMOD HEXYL HOMOLOG [USP IMPURITY]
Common Name English
2-amino-2-[2-(4-hexylphenyl)ethyl]propane-1,3-diol
Systematic Name English
2-AMINO-2-(4-HEXYLPHENETHYL)PROPANE-1,3-DIOL
Systematic Name English
Code System Code Type Description
PUBCHEM
71625129
Created by admin on Sat Dec 16 11:13:28 GMT 2023 , Edited by admin on Sat Dec 16 11:13:28 GMT 2023
PRIMARY
CAS
1201794-93-5
Created by admin on Sat Dec 16 11:13:28 GMT 2023 , Edited by admin on Sat Dec 16 11:13:28 GMT 2023
PRIMARY
FDA UNII
3MF3OW1XK9
Created by admin on Sat Dec 16 11:13:28 GMT 2023 , Edited by admin on Sat Dec 16 11:13:28 GMT 2023
PRIMARY
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PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
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