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Details

Stereochemistry ACHIRAL
Molecular Formula C20H35NO2
Molecular Weight 321.4974
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CCCCCCCCCC1=CC=C(CCC(N)(CO)CO)C=C1

InChI

InChIKey=ZHIYCKDBZCXAQL-UHFFFAOYSA-N
InChI=1S/C20H35NO2/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)14-15-20(21,16-22)17-23/h10-13,22-23H,2-9,14-17,21H2,1H3

HIDE SMILES / InChI

Molecular Formula C20H35NO2
Molecular Weight 321.4974
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 18:51:32 UTC 2023
Edited
by admin
on Sat Dec 16 18:51:32 UTC 2023
Record UNII
A5N3SI7GZ1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DES(OCTYL)NONYL FINGOLIMOD
Common Name English
2-AMINO-2-(4-NONYLPHENETHYL)PROPANE-1,3-DIOL
Systematic Name English
FINGOLIMOD NONYL HOMOLOG
Common Name English
FINGOLIMOD HYDROCHLORIDE IMPURITY C [EP IMPURITY]
Common Name English
2-AMINO-2-(2-(4-NONYLPHENYL)ETHYL)-1,3-PROPANEDIOL
Systematic Name English
FINGOLIMOD NONYL HOMOLOG [USP IMPURITY]
Common Name English
1,3-PROPANEDIOL, 2-AMINO-2-(2-(4-NONYLPHENYL)ETHYL)-
Systematic Name English
2-amino-2-[2-(4-nonylphenyl)ethyl]propane-1,3-diol
Systematic Name English
Code System Code Type Description
FDA UNII
A5N3SI7GZ1
Created by admin on Sat Dec 16 18:51:32 UTC 2023 , Edited by admin on Sat Dec 16 18:51:32 UTC 2023
PRIMARY
EPA CompTox
DTXSID30445228
Created by admin on Sat Dec 16 18:51:32 UTC 2023 , Edited by admin on Sat Dec 16 18:51:32 UTC 2023
PRIMARY
PUBCHEM
10808283
Created by admin on Sat Dec 16 18:51:32 UTC 2023 , Edited by admin on Sat Dec 16 18:51:32 UTC 2023
PRIMARY
CAS
746594-44-5
Created by admin on Sat Dec 16 18:51:32 UTC 2023 , Edited by admin on Sat Dec 16 18:51:32 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
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PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP