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Details

Stereochemistry RACEMIC
Molecular Formula C19H31F3NO6P
Molecular Weight 457.4215
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Amiselimod phosphate

SMILES

CCCCCCCOC1=C(C=C(CCC(N)(CO)COP(O)(O)=O)C=C1)C(F)(F)F

InChI

InChIKey=OFRUGVQKZMGHHH-UHFFFAOYSA-N
InChI=1S/C19H31F3NO6P/c1-2-3-4-5-6-11-28-17-8-7-15(12-16(17)19(20,21)22)9-10-18(23,13-24)14-29-30(25,26)27/h7-8,12,24H,2-6,9-11,13-14,23H2,1H3,(H2,25,26,27)

HIDE SMILES / InChI

Molecular Formula C19H31F3NO6P
Molecular Weight 457.4215
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 19:48:36 UTC 2023
Edited
by admin
on Sat Dec 16 19:48:36 UTC 2023
Record UNII
QL6WNR6C4D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Amiselimod phosphate
Common Name English
Amiselimod-P
Common Name English
2-Amino-4-(4-heptyloxy-3-trifluoromethylphenyl)-2-[(phosphonooxy)methyl]butanol
Systematic Name English
1,3-Propanediol, 2-amino-2-[2-[4-(heptyloxy)-3-(trifluoromethyl)phenyl]ethyl]-, 1-(dihydrogen phosphate)
Systematic Name English
Code System Code Type Description
PUBCHEM
23581980
Created by admin on Sat Dec 16 19:48:36 UTC 2023 , Edited by admin on Sat Dec 16 19:48:36 UTC 2023
PRIMARY
FDA UNII
QL6WNR6C4D
Created by admin on Sat Dec 16 19:48:36 UTC 2023 , Edited by admin on Sat Dec 16 19:48:36 UTC 2023
PRIMARY
CAS
942398-85-8
Created by admin on Sat Dec 16 19:48:36 UTC 2023 , Edited by admin on Sat Dec 16 19:48:36 UTC 2023
PRIMARY
Related Record Type Details
TARGET->MODULATOR
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE
Related Record Type Details
ACTIVE MOIETY