Name: Netupitant N-oxide-[d6]
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-012899

CAS: 2070015-12-0

Molecular Formula: C30H26D6F6N4O2

Molecular Weight: 600.64

Chemical Structure

Description	Netupitant N-oxide-[d6] is the labelled analogue of Netupitant N-oxide, which is a derivative of Netupitant. Netupitant is a selective neurokinin 1 receptor antagonist with potential antiemetic activity.
Synonyms	Netupitant N-oxide D6; N,α,α-Trimethyl-N-[6-(4-methyl-4-oxido-1-piperazinyl)-4-(2-methylphenyl)-3-pyridinyl]-3,5-bis(trifluoromethyl)-benzeneacetamide-d6
IUPAC Name	2-[3,5-bis(trifluoromethyl)phenyl]-3,3,3-trideuterio-N-methyl-N-[6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-4-(2-methylphenyl)pyridin-3-yl]-2-(trideuteriomethyl)propanamide
Related CAS	910808-11-6 (unlabelled)
Canonical SMILES	CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CC[N+](CC4)(C)[O-]
InChI	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/i2D3,3D3
InChI Key	FKUOVQVMCOPBJS-XERRXZQWSA-N
Purity	98% by HPLC
Solubility	Soluble in DMSO (Slightly, Heated), Methanol (Slightly)
Appearance	Pale Yellow Solid
Storage	Store at -20°C under inert atmosphere