RO-0713001

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H32F6N4O2
Molecular Weight	594.5911
Optical Activity	NONE
Defined Stereocenters	0 / 1
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=CN=C(C=C2C3=CC=CC=C3C)N4CC[N+](C)([O-])CC4

InChI

InChIKey=FKUOVQVMCOPBJS-UHFFFAOYSA-N

InChI=1S/C30H32F6N4O2/c1-19-8-6-7-9-23(19)24-17-26(39-10-12-40(5,42)13-11-39)37-18-25(24)38(4)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3

HIDE SMILES / InChI

Molecular Formula	C30H32F6N4O2
Molecular Weight	594.5911
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:44:06 GMT 2025` Edited by `admin` on `Tue Apr 01 20:44:06 GMT 2025`
Record UNII	5Q2I9HLY8W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NETUPITANT METABOLITE M2

Preferred Name

English

RO-0713001

Code

English

NETUPITANT N-OXIDE

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

11848838

Created by admin on Tue Apr 01 20:44:06 GMT 2025 , Edited by admin on Tue Apr 01 20:44:06 GMT 2025

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CAS

910808-11-6

Created by admin on Tue Apr 01 20:44:06 GMT 2025 , Edited by admin on Tue Apr 01 20:44:06 GMT 2025

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FDA UNII

5Q2I9HLY8W

Created by admin on Tue Apr 01 20:44:06 GMT 2025 , Edited by admin on Tue Apr 01 20:44:06 GMT 2025

PRIMARY