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Details

Stereochemistry ACHIRAL
Molecular Formula C21H35NO3
Molecular Weight 349.5075
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl]acetamide

SMILES

CCCCCCCCC1=CC=C(CCC(CO)(CO)NC(C)=O)C=C1

InChI

InChIKey=XDKYDMHKJNIXAT-UHFFFAOYSA-N
InChI=1S/C21H35NO3/c1-3-4-5-6-7-8-9-19-10-12-20(13-11-19)14-15-21(16-23,17-24)22-18(2)25/h10-13,23-24H,3-9,14-17H2,1-2H3,(H,22,25)

HIDE SMILES / InChI

Molecular Formula C21H35NO3
Molecular Weight 349.5075
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 11:21:20 GMT 2023
Edited
by admin
on Sat Dec 16 11:21:20 GMT 2023
Record UNII
L2B7VV6MBY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-[1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl]acetamide
Systematic Name English
Acetamide, N-[1,1-bis(hydroxymethyl)-3-(4-octylphenyl)propyl]-
Systematic Name English
N-[1,1-Bis(hydroxymethyl)-3-(4-octylphenyl)propyl]acetamide
Systematic Name English
FINGOLIMOD HYDROCHLORIDE IMPURITY I [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
L2B7VV6MBY
Created by admin on Sat Dec 16 11:21:20 GMT 2023 , Edited by admin on Sat Dec 16 11:21:20 GMT 2023
PRIMARY
PUBCHEM
10521783
Created by admin on Sat Dec 16 11:21:20 GMT 2023 , Edited by admin on Sat Dec 16 11:21:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID70441244
Created by admin on Sat Dec 16 11:21:20 GMT 2023 , Edited by admin on Sat Dec 16 11:21:20 GMT 2023
PRIMARY
CAS
249289-10-9
Created by admin on Sat Dec 16 11:21:20 GMT 2023 , Edited by admin on Sat Dec 16 11:21:20 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP