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

Details

Stereochemistry ACHIRAL
Molecular Formula C35H63NO3
Molecular Weight 545.8796
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FINGOLIMOD PALMITAMIDE

SMILES

CCCCCCCCCCCCCCCC(=O)NC(CO)(CO)CCC1=CC=C(CCCCCCCC)C=C1

InChI

InChIKey=IORBWOLRQIQQNW-UHFFFAOYSA-N
InChI=1S/C35H63NO3/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-34(39)36-35(30-37,31-38)29-28-33-26-24-32(25-27-33)22-20-18-10-8-6-4-2/h24-27,37-38H,3-23,28-31H2,1-2H3,(H,36,39)

HIDE SMILES / InChI

Molecular Formula C35H63NO3
Molecular Weight 545.8796
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 14:51:23 GMT 2023
Edited
by admin
on Sat Dec 16 14:51:23 GMT 2023
Record UNII
N6BC8JV9R2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FINGOLIMOD PALMITAMIDE
Common Name English
FINGOLIMOD METABOLITE M28
Common Name English
HEXADECANAMIDE, N-(1,1-BIS(HYDROXYMETHYL)-3-(4-OCTYLPHENYL)PROPYL)-
Common Name English
N-(1,1-BIS(HYDROXYMETHYL)-3-(4-OCTYLPHENYL)PROPYL)HEXADECANAMIDE
Systematic Name English
FINGOLIMOD HEXADECANAMIDE
Common Name English
Code System Code Type Description
CAS
1242271-26-6
Created by admin on Sat Dec 16 14:51:23 GMT 2023 , Edited by admin on Sat Dec 16 14:51:23 GMT 2023
PRIMARY
PUBCHEM
46897777
Created by admin on Sat Dec 16 14:51:23 GMT 2023 , Edited by admin on Sat Dec 16 14:51:23 GMT 2023
PRIMARY
FDA UNII
N6BC8JV9R2
Created by admin on Sat Dec 16 14:51:23 GMT 2023 , Edited by admin on Sat Dec 16 14:51:23 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE