U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C21H35NO3
Molecular Weight 349.5075
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl acetate

SMILES

CCCCCCCCC1=CC=C(CCC(N)(CO)COC(C)=O)C=C1

InChI

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

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2-Amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl acetate
Systematic Name English
FINGOLIMOD HYDROCHLORIDE IMPURITY G [EP IMPURITY]
Common Name English
1,3-Propanediol, 2-amino-2-[2-(4-octylphenyl)ethyl]-, 1-acetate
Systematic Name English
Code System Code Type Description
PUBCHEM
131875212
Created by admin on Sat Dec 16 11:21:21 GMT 2023 , Edited by admin on Sat Dec 16 11:21:21 GMT 2023
PRIMARY
FDA UNII
U7TS57NWS9
Created by admin on Sat Dec 16 11:21:21 GMT 2023 , Edited by admin on Sat Dec 16 11:21:21 GMT 2023
PRIMARY
CAS
1807973-92-7
Created by admin on Sat Dec 16 11:21:21 GMT 2023 , Edited by admin on Sat Dec 16 11:21:21 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966