Fosaprepitant dibenzyl ester

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H34F7N4O6P
Molecular Weight	794.6516
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Fosaprepitant dibenzyl ester

Structure Search

SMILES

C[C@@H](O[C@H]1OCCN(CC2=NN(C(=O)N2)P(=O)(OCC3=CC=CC=C3)OCC4=CC=CC=C4)[C@H]1C5=CC=C(F)C=C5)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

InChI

InChIKey=MLAHURIEOZYYPF-NICCLAEBSA-N

InChI=1S/C37H34F7N4O6P/c1-24(28-18-29(36(39,40)41)20-30(19-28)37(42,43)44)54-34-33(27-12-14-31(38)15-13-27)47(16-17-51-34)21-32-45-35(49)48(46-32)55(50,52-22-25-8-4-2-5-9-25)53-23-26-10-6-3-7-11-26/h2-15,18-20,24,33-34H,16-17,21-23H2,1H3,(H,45,46,49)/t24-,33+,34-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Dibenzyl fosaprepitant

Preferred Name

English

Fosaprepitant dibenzyl ester

Common Name

English

Bis(phenylmethyl) P-[3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-2,5-dihydro-5-oxo-1H-1,2,4-triazol-1-yl]phosphonate

Systematic Name

English

Phosphonic acid, P-[3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-2,5-dihydro-5-oxo-1H-1,2,4-triazol-1-yl]-, bis(phenylmethyl) ester

Systematic Name

English

Dibenzyl phosaprepitant

Common Name

English

Dibenzyl (3-{[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl}-5-oxo-2,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonate

Systematic Name

English

Code System Code Type Description

FDA UNII

QDK882R2LJ

Created by admin on Wed Apr 02 20:03:29 GMT 2025 , Edited by admin on Wed Apr 02 20:03:29 GMT 2025

PRIMARY

PUBCHEM

135406695

Created by admin on Wed Apr 02 20:03:29 GMT 2025 , Edited by admin on Wed Apr 02 20:03:29 GMT 2025

PRIMARY

CAS

265121-01-5

Created by admin on Wed Apr 02 20:03:29 GMT 2025 , Edited by admin on Wed Apr 02 20:03:29 GMT 2025

PRIMARY

SUBSTANCE RECORD


					QDK882R2LJ

Fosaprepitant dibenzyl ester