Name: rac Cinacalcet-[d3] Hydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-012833

CAS: 1185097-33-9

Molecular Formula: C22H20D3ClF3N

Molecular Weight: 396.89

Chemical Structure

Description	rac Cinacalcet-[d3] Hydrochloride is the labelled analogue of Rac-Cinacalcet Hydrochloride, which is a metabolite of Cinacalcet.
Synonyms	Rac-Cinacalcet D3 Hydrochloride; α-(Methyl-d3)-N-[3-[3-(trifluoromethyl)phenyl)propyl]-1-napthalenemethanamine Hydrochloride; N-(3-(3-(trifluoromethyl)phenyl)propyl)-1-(1-napthyl)ethylamine-d3 Hydrochloride
IUPAC Name	N-(2,2,2-trideuterio-1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
Related CAS	1025064-33-8 (unlabelled) 1185194-18-6 (free base)
Isomeric SMILES	[2H]C([2H])([2H])C(C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)F.Cl
Canonical SMILES	CC(C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)F.Cl
InChI	InChI=1S/C22H22F3N.ClH/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25;/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3;1H/i1D3;
InChI Key	QANQWUQOEJZMLL-NIIDSAIPSA-N
Melting Point	111-113°C
Purity	>95%
Solubility	Soluble in Ethanol, Methanol, Water
Appearance	White to Off-White Solid
Storage	Store at -20°C