Aprepitant Nitroso Impurity 1

Details

Stereochemistry	EPIMERIC
Molecular Formula	C20H17F7N2O3
Molecular Weight	466.3494
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Aprepitant Nitroso Impurity 1

Structure Search

SMILES

C[C@@H](O[C@H]1OCCN(N=O)C1C2=CC=C(F)C=C2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChIKey=DOCZFOXWYMIYPN-MDXNDARISA-N

InChI=1S/C20H17F7N2O3/c1-11(13-8-14(19(22,23)24)10-15(9-13)20(25,26)27)32-18-17(29(28-30)6-7-31-18)12-2-4-16(21)5-3-12/h2-5,8-11,17-18H,6-7H2,1H3/t11-,17?,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H17F7N2O3
Molecular Weight	466.3494
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	2 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:44:57 GMT 2025` Edited by `admin` on `Wed Apr 02 17:44:57 GMT 2025`
Record UNII	3VPP4U4JZW
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Aprepitant Nitroso Impurity 1

Common Name

English

(2R)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-nitrosomorpholine

Preferred Name

English

Code System Code Type Description

FDA UNII

3VPP4U4JZW

Created by admin on Wed Apr 02 17:44:57 GMT 2025 , Edited by admin on Wed Apr 02 17:44:57 GMT 2025

PRIMARY

PUBCHEM

167713317

Created by admin on Wed Apr 02 17:44:57 GMT 2025 , Edited by admin on Wed Apr 02 17:44:57 GMT 2025

PRIMARY

Related Record Type Details


					1NF15YR6UY

APREPITANT

PARENT->IMPURITY GENOTOXIC

Comments:

Potentially genotoxic N-nitorso

Amount: