3H-1,2,4-TRIAZOL-3-ONE, 5-(((2R,3S)-2-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-(4'-FLUORO(1,1'-BIPHENYL)-3-YL)-4-MORPHOLINYL)METHYL)-1,2-DIHYDRO-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H25F7N4O3
Molecular Weight	610.5226
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3H-1,2,4-TRIAZOL-3-ONE, 5-(((2R,3S)-2-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-(4'-FLUORO(1,1'-BIPHENYL)-3-YL)-4-MORPHOLINYL)METHYL)-1,2-DIHYDRO-

Structure Search

SMILES

C[C@@H](O[C@H]1OCCN(CC2=NC(=O)NN2)[C@H]1C3=CC=CC(=C3)C4=CC=C(F)C=C4)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

InChI

InChIKey=QIEHKJXOBWMTEV-RENKICTCSA-N

InChI=1S/C29H25F7N4O3/c1-16(20-12-21(28(31,32)33)14-22(13-20)29(34,35)36)43-26-25(40(9-10-42-26)15-24-37-27(41)39-38-24)19-4-2-3-18(11-19)17-5-7-23(30)8-6-17/h2-8,11-14,16,25-26H,9-10,15H2,1H3,(H2,37,38,39,41)/t16-,25+,26-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

3H-1,2,4-TRIAZOL-3-ONE, 5-(((2R,3S)-2-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-(4'-FLUORO(1,1'-BIPHENYL)-3-YL)-4-MORPHOLINYL)METHYL)-1,2-DIHYDRO-

Systematic Name

English

APREPITANT IMPURITY B [EP IMPURITY]

Common Name

English

5-(((2R,3S)-2-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-(4'-FLUOROBIPHENYL-3-YL)MORPHOLIN-4-YL)METHYL)-1,2-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE

Systematic Name

English

Code System Code Type Description

PUBCHEM

156596420

Created by admin on Sat Dec 16 11:09:23 GMT 2023 , Edited by admin on Sat Dec 16 11:09:23 GMT 2023

PRIMARY

CAS

2348441-62-1

Created by admin on Sat Dec 16 11:09:23 GMT 2023 , Edited by admin on Sat Dec 16 11:09:23 GMT 2023

PRIMARY

FDA UNII

TME8PY9FMY

Created by admin on Sat Dec 16 11:09:23 GMT 2023 , Edited by admin on Sat Dec 16 11:09:23 GMT 2023

PRIMARY

SUBSTANCE RECORD


					TME8PY9FMY

3H-1,2,4-TRIAZOL-3-ONE, 5-(((2R,3S)-2-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-(4'-FLUORO(1,1'-BIPHENYL)-3-YL)-4-MORPHOLINYL)METHYL)-1,2-DIHYDRO-