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

Details

Stereochemistry ACHIRAL
Molecular Formula C37H67NO3
Molecular Weight 573.9328
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FINGOLIMOD STEARAMIDE

SMILES

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

InChI

InChIKey=ZXBNYUXVNALWDT-UHFFFAOYSA-N
InChI=1S/C37H67NO3/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-36(41)38-37(32-39,33-40)31-30-35-28-26-34(27-29-35)24-22-20-10-8-6-4-2/h26-29,39-40H,3-25,30-33H2,1-2H3,(H,38,41)

HIDE SMILES / InChI

Molecular Formula C37H67NO3
Molecular Weight 573.9328
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 15:05:06 UTC 2023
Edited
by admin
on Sat Dec 16 15:05:06 UTC 2023
Record UNII
2GQ2LRY07R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FINGOLIMOD STEARAMIDE
Common Name English
OCTADECANAMIDE, N-(1,1-BIS(HYDROXYMETHYL)-3-(4-OCTYLPHENYL)PROPYL)-
Systematic Name English
N-(1,1-BIS(HYDROXYMETHYL)-3-(4-OCTYLPHENYL)PROPYL)OCTADECANAMIDE
Systematic Name English
FINGOLIMOD OCTADECANAMIDE
Common Name English
FINGOLIMOD METABOLITE M30
Common Name English
Code System Code Type Description
CAS
1242271-27-7
Created by admin on Sat Dec 16 15:05:06 UTC 2023 , Edited by admin on Sat Dec 16 15:05:06 UTC 2023
PRIMARY
FDA UNII
2GQ2LRY07R
Created by admin on Sat Dec 16 15:05:06 UTC 2023 , Edited by admin on Sat Dec 16 15:05:06 UTC 2023
PRIMARY
PUBCHEM
46897778
Created by admin on Sat Dec 16 15:05:06 UTC 2023 , Edited by admin on Sat Dec 16 15:05:06 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE