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

Details

Stereochemistry EPIMERIC
Molecular Formula C23H22F7N4O7P
Molecular Weight 630.406
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Fosaprepitant N-oxide

SMILES

C[C@@H](O[C@H]1OCC[N+]([O-])(CC2=NN(C(=O)N2)P(O)(O)=O)[C@H]1C3=CC=C(F)C=C3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChIKey=NBFJFSNRWBIGCE-FMSQANQXSA-N
InChI=1S/C23H22F7N4O7P/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)41-20-19(13-2-4-17(24)5-3-13)34(36,6-7-40-20)11-18-31-21(35)33(32-18)42(37,38)39/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H,31,32,35)(H2,37,38,39)/t12-,19+,20-,34?/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-((5-oxo-1-phosphono-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)morpholine 4-oxide
Preferred Name English
Fosaprepitant N-oxide
Common Name English
Code System Code Type Description
PUBCHEM
169440769
Created by admin on Wed Apr 02 20:01:05 GMT 2025 , Edited by admin on Wed Apr 02 20:01:05 GMT 2025
PRIMARY
CAS
2315504-34-6
Created by admin on Wed Apr 02 20:01:05 GMT 2025 , Edited by admin on Wed Apr 02 20:01:05 GMT 2025
PRIMARY
FDA UNII
W949DY5A3B
Created by admin on Wed Apr 02 20:01:05 GMT 2025 , Edited by admin on Wed Apr 02 20:01:05 GMT 2025
PRIMARY