(2S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-4-(phenylmethyl)-3-morpholinone

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H19F6NO3
Molecular Weight	447.3709
Optical Activity	( - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-4-(phenylmethyl)-3-morpholinone

Structure Search

SMILES

C[C@@H](O[C@@H]1OCCN(CC2=CC=CC=C2)C1=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChIKey=KVPJNHLVRGUYGQ-YJYMSZOUSA-N

InChI=1S/C21H19F6NO3/c1-13(15-9-16(20(22,23)24)11-17(10-15)21(25,26)27)31-19-18(29)28(7-8-30-19)12-14-5-3-2-4-6-14/h2-6,9-11,13,19H,7-8,12H2,1H3/t13-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H19F6NO3
Molecular Weight	447.3709
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:32:19 GMT 2025` Edited by `admin` on `Wed Apr 02 19:32:19 GMT 2025`
Record UNII	P3LL2UF9FX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(S)-4-Benzyl-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)morpholin-3-one (Aprepitant Impurity)

Preferred Name

English

(2S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-4-(phenylmethyl)-3-morpholinone

Systematic Name

English

3-Morpholinone, 2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(phenylmethyl)-, (2S)-

Systematic Name

English

Code System Code Type Description

CAS

327623-36-9

Created by admin on Wed Apr 02 19:32:19 GMT 2025 , Edited by admin on Wed Apr 02 19:32:19 GMT 2025

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FDA UNII

P3LL2UF9FX

Created by admin on Wed Apr 02 19:32:19 GMT 2025 , Edited by admin on Wed Apr 02 19:32:19 GMT 2025

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PUBCHEM

71699996

Created by admin on Wed Apr 02 19:32:19 GMT 2025 , Edited by admin on Wed Apr 02 19:32:19 GMT 2025

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