6-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-5-(4-FLUOROPHENYL)3-MORPHOLINONE, (5S,6R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H16F7NO3
Molecular Weight	451.3348
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-5-(4-FLUOROPHENYL)3-MORPHOLINONE, (5S,6R)-

Structure Search

SMILES

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

InChI

InChIKey=UISOBKKSNVFVOF-KTTLUUMZSA-N

InChI=1S/C20H16F7NO3/c1-10(12-6-13(19(22,23)24)8-14(7-12)20(25,26)27)31-18-17(28-16(29)9-30-18)11-2-4-15(21)5-3-11/h2-8,10,17-18H,9H2,1H3,(H,28,29)/t10-,17+,18-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

6-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-5-(4-FLUOROPHENYL)3-MORPHOLINONE, (5S,6R)-

Systematic Name

English

APREPITANT METABOLITE M-1

Common Name

English

3-MORPHOLINONE, 6-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-5-(4-FLUOROPHENYL)-, (5S,6R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

9933512

Created by admin on Sat Dec 16 11:15:06 GMT 2023 , Edited by admin on Sat Dec 16 11:15:06 GMT 2023

PRIMARY

FDA UNII

L9KBR6F84D

Created by admin on Sat Dec 16 11:15:06 GMT 2023 , Edited by admin on Sat Dec 16 11:15:06 GMT 2023

PRIMARY

CAS

419574-04-2

Created by admin on Sat Dec 16 11:15:06 GMT 2023 , Edited by admin on Sat Dec 16 11:15:06 GMT 2023

PRIMARY

EPA CompTox

DTXSID50433021

Created by admin on Sat Dec 16 11:15:06 GMT 2023 , Edited by admin on Sat Dec 16 11:15:06 GMT 2023

PRIMARY

PARENT (METABOLITE)


					1NF15YR6UY

APREPITANT

SUBSTANCE RECORD


					L9KBR6F84D

6-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-5-(4-FLUOROPHENYL)3-MORPHOLINONE, (5S,6R)-