NETUPITANT DIHYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H32F6N4O.2ClH
Molecular Weight	651.514
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.Cl.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(C)C=CC=C4

InChI

InChIKey=GJGWXFKSUTYHCU-UHFFFAOYSA-N

InChI=1S/C30H32F6N4O.2ClH/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)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;2*1H

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C30H32F6N4O
Molecular Weight	578.5917
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 15:43:51 UTC 2023` Edited by `admin` on `Sat Dec 16 15:43:51 UTC 2023`
Record UNII	OA7JCO20ZP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NETUPITANT DIHYDROCHLORIDE

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

NETUPITANT HYDROCHLORIDE [MI]

Common Name

English

Code System Code Type Description

CAS

290296-54-7