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Amitriptyline-[d3] Hydrochloride

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General Information
Catalog: BLP-008110
CAS: 342611-00-1
Molecular Formula: C20H20D3N.HCl
Molecular Weight: 316.88

Chemical Structure

Description	Amitriptyline-[N-methyl-d3] Hydrochloride is a labelled analogue of Amitriptyline. Amitriptyline inhibits serotonin receptor, norepinephrine receptor, 5-HT4, 5-HT2 and sigma 1 receptor with IC50 of 3.45 nM, 13.3 nM, 7.31 nM, 235 nM and 287 nM, respectively.
Synonyms	Amitriptyline-d3 Hydrochloride; 3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine-d3 Hydrochloride; Adepril-d3; Amineurin-d3; Domical-d3; Elavil-d3; Endep-d3; Euplit-d3; Laroxyl-d3; Tryptanol-d3; Tryptizol-d3; Amitriptyline Hydrochloride (N-methyl-D3)
IUPAC Name	N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-N-(trideuteriomethyl)propan-1-amine;hydrochloride
Related CAS	549-18-8 (unlabelled) 50-48-6 (unlabelled free base)
Isomeric SMILES	[2H]C([2H])([2H])N(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.Cl
Canonical SMILES	CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.Cl
InChI	InChI=1S/C20H23N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-12H,7,13-15H2,1-2H3;1H/i1D3;
InChI Key	KFYRPLNVJVHZGT-NIIDSAIPSA-N
Melting Point	192-196°C
Purity	98% by CP; 98% atom D
Solubility	Soluble in Chloroform (Slightly), Methanol (Slightly), Water (Slightly)
Appearance	White to Off-white Solid
Storage	Store at -20°C