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

Molecular Formula C21H35NO3
Molecular Weight 349.5075
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:21:21 GMT 2023
Edited
by admin
on Sat Dec 16 11:21:21 GMT 2023
Record UNII
U7TS57NWS9
Record Status Validated (UNII)
Record Version
  • Download
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
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP