(2R,4S)-4-(4-ACETYL-3-HYDROXY-1-PIPERAZINYL)-N-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHYL)-2-(4-FLUORO-2-METHYLPHENYL)-N-METHYL-1-PIPERIDINECARBOXAMIDE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C30H35F7N4O3
Molecular Weight	632.6127
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2R,4S)-4-(4-ACETYL-3-HYDROXY-1-PIPERAZINYL)-N-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHYL)-2-(4-FLUORO-2-METHYLPHENYL)-N-METHYL-1-PIPERIDINECARBOXAMIDE

Structure Search

SMILES

C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1C2=C(C)C=C(F)C=C2)N3CCN(C(O)C3)C(C)=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChIKey=IMIUKXZVUAUOBR-GFILMBHASA-N

InChI=1S/C30H35F7N4O3/c1-17-11-23(31)5-6-25(17)26-15-24(39-9-10-40(19(3)42)27(43)16-39)7-8-41(26)28(44)38(4)18(2)20-12-21(29(32,33)34)14-22(13-20)30(35,36)37/h5-6,11-14,18,24,26-27,43H,7-10,15-16H2,1-4H3/t18-,24+,26-,27?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H35F7N4O3
Molecular Weight	632.6127
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	3 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:30:59 GMT 2023` Edited by `admin` on `Sat Dec 16 15:30:59 GMT 2023`
Record UNII	V7P59U95XA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2R,4S)-4-(4-ACETYL-3-HYDROXY-1-PIPERAZINYL)-N-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHYL)-2-(4-FLUORO-2-METHYLPHENYL)-N-METHYL-1-PIPERIDINECARBOXAMIDE

Systematic Name

English

CASOPITANT METABOLITE M13

Common Name

English

GW 525060

Code

English

1-PIPERIDINECARBOXAMIDE, 4-(4-ACETYL-3-HYDROXY-1-PIPERAZINYL)-N-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHYL)-2-(4-FLUORO-2-METHYLPHENYL)-N-METHYL-, (2R,4S)-

Systematic Name

English

GW525060

Code

English

Code System Code Type Description

PUBCHEM

12001280

Created by admin on Sat Dec 16 15:30:59 GMT 2023 , Edited by admin on Sat Dec 16 15:30:59 GMT 2023

PRIMARY

FDA UNII

V7P59U95XA

Created by admin on Sat Dec 16 15:30:59 GMT 2023 , Edited by admin on Sat Dec 16 15:30:59 GMT 2023

PRIMARY

CAS

921765-80-2

Created by admin on Sat Dec 16 15:30:59 GMT 2023 , Edited by admin on Sat Dec 16 15:30:59 GMT 2023

PRIMARY

Related Record Type Details


					3B03KPM27L

CASOPITANT

PARENT -> METABOLITE

Comments:

after oral administration, at 1h

Interaction Type:

MAJOR

Qualification:

PLASMA

Amount:

Name	Property Type	Parameters
Tmax	PHARMACOKINETIC	ORAL ADMINISTRATION

Biological Half-life	PHARMACOKINETIC	ORAL ADMINISTRATION