RO-0731519

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H32F6N4O2
Molecular Weight	594.5911
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN(C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2=C(C=C(N=C2)N3CCN(C)CC3)C4=C(CO)C=CC=C4

InChI

InChIKey=CUGOZHKFGSQBGD-UHFFFAOYSA-N

InChI=1S/C30H32F6N4O2/c1-28(2,20-13-21(29(31,32)33)15-22(14-20)30(34,35)36)27(42)39(4)25-17-37-26(40-11-9-38(3)10-12-40)16-24(25)23-8-6-5-7-19(23)18-41/h5-8,13-17,41H,9-12,18H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C30H32F6N4O2
Molecular Weight	594.5911
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:27:54 GMT 2023` Edited by `admin` on `Sat Dec 16 13:27:54 GMT 2023`
Record UNII	V5Y2A6BA23
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RO-0731519

Code

English

NETUPITANT METABOLITE M3

Common Name

English

N-(4-(2-(HYDROXYMETHYL)PHENYL)-6-(4-METHYL-1-PIPERAZINYL)-3-PYRIDINYL)-N,.ALPHA.,.ALPHA.-TRIMETHYL-3,5-BIS(TRIFLUOROMETHYL)BENZENEACETAMIDE

Systematic Name

English

MONOHYDROXY NETUPITANT

Common Name

English

BENZENEACETAMIDE, N-(4-(2-(HYDROXYMETHYL)PHENYL)-6-(4-METHYL-1-PIPERAZINYL)-3-PYRIDINYL)-N,.ALPHA.,.ALPHA.-TRIMETHYL-3,5-BIS(TRIFLUOROMETHYL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

V5Y2A6BA23

Created by admin on Sat Dec 16 13:27:54 GMT 2023 , Edited by admin on Sat Dec 16 13:27:54 GMT 2023

PRIMARY

PUBCHEM

11657239

Created by admin on Sat Dec 16 13:27:54 GMT 2023 , Edited by admin on Sat Dec 16 13:27:54 GMT 2023

PRIMARY

Related Record Type Details


					7732P08TIR

NETUPITANT

PARENT -> METABOLITE ACTIVE

Comments:

of parent exposure

Interaction Type:

MAJOR

Qualification:

AUC

Amount: