(2R)-2-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-(4-FLUOROPHENYL)-5,6-DIHYDRO-2H-1,4-OXAZINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H16F7NO2
Molecular Weight	435.3354
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2R)-2-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-(4-FLUOROPHENYL)-5,6-DIHYDRO-2H-1,4-OXAZINE

Structure Search

SMILES

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

InChI

InChIKey=KHOSCFXAHZBOCH-ADLMAVQZSA-N

InChI=1S/C20H16F7NO2/c1-11(13-8-14(19(22,23)24)10-15(9-13)20(25,26)27)30-18-17(28-6-7-29-18)12-2-4-16(21)5-3-12/h2-5,8-11,18H,6-7H2,1H3/t11-,18-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(2R)-2-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-(4-FLUOROPHENYL)-5,6-DIHYDRO-2H-1,4-OXAZINE

Systematic Name

English

APRIMIN

Common Name

English

2H-1,4-OXAZINE, 2-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-(4-FLUOROPHENYL)-5,6-DIHYDRO-, (2R)-

Systematic Name

English

APREPITANT METABOLITE M-2

Common Name

English

Code System Code Type Description

FDA UNII

38EA8GN2BN

Created by admin on Sat Dec 16 18:21:36 GMT 2023 , Edited by admin on Sat Dec 16 18:21:36 GMT 2023

PRIMARY

EPA CompTox

DTXSID30437709

Created by admin on Sat Dec 16 18:21:36 GMT 2023 , Edited by admin on Sat Dec 16 18:21:36 GMT 2023

PRIMARY

CAS

380499-07-0

Created by admin on Sat Dec 16 18:21:36 GMT 2023 , Edited by admin on Sat Dec 16 18:21:36 GMT 2023

PRIMARY

PUBCHEM

10274609

Created by admin on Sat Dec 16 18:21:36 GMT 2023 , Edited by admin on Sat Dec 16 18:21:36 GMT 2023

PRIMARY

PARENT (METABOLITE)


					1NF15YR6UY

APREPITANT

SUBSTANCE RECORD


					38EA8GN2BN

(2R)-2-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-(4-FLUOROPHENYL)-5,6-DIHYDRO-2H-1,4-OXAZINE