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EDDP-[d3] perchlorate

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General Information
Catalog: BLP-010796
CAS: 136765-23-6
Molecular Formula: C20H21D3ClNO4
Molecular Weight: 380.88

Chemical Structure

Description	EDDP-[d3] perchlorate is the labelled analogue of EDDP perchlorate, which is a metabolite of Methadone.
Synonyms	EDDP perchlorate D3; 5-Ethyl-3,4-dihydro-1,2-dimethyl-4,4-diphenyl-2H-pyrrolium-d3 perchlorate; 2-ethyl-1,5-dimethyl-3,3-diphenylpyrrolinium-d3 perchlorate; 1,5-Dimethyl-2-ethyl-3,3-diphenyl-1-pyrroline-1-ium-d3 perchlorate; EDDP-d3 perchlorate
IUPAC Name	1,2-dimethyl-4,4-diphenyl-5-(2,2,2-trideuterioethyl)-2,3-dihydropyrrol-1-ium;perchlorate
Related CAS	31161-17-8 (unlabelled) 21409-27-8 (unlabelled free base)
Isomeric SMILES	[2H]C([2H])([2H])CC1=[N+](C(CC1(C2=CC=CC=C2)C3=CC=CC=C3)C)C.[O-]Cl(=O)(=O)=O
Canonical SMILES	CCC1=[N+](C(CC1(C2=CC=CC=C2)C3=CC=CC=C3)C)C.[O-]Cl(=O)(=O)=O
InChI	InChI=1S/C20H24N.ClHO4/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18;2-1(3,4)5/h5-14,16H,4,15H2,1-3H3;(H,2,3,4,5)/q+1;/p-1/i1D3;
InChI Key	FICCBMGBBWWZRF-NIIDSAIPSA-M
Purity	98%; 98% atom D
Solubility	Soluble in Methanol
Storage	Store at -20°C