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Cocaethylene-[d8]

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General Information
Catalog: BLP-007267
CAS: 152521-09-0
Molecular Formula: C18H15D8NO4
Molecular Weight: 325.3

Chemical Structure

Synonyms	Cocaethylene-D8; Homococaine-d8; O-Benzoyl-l-ecgonine-(methyl-d3) Ethyl-d5 Ester
IUPAC Name	1,1,2,2,2-pentadeuterioethyl (1S,3S,4R,5R)-3-benzoyloxy-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octane-4-carboxylate
Related CAS	529-38-4 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])([2H])OC(=O)[C@@H]1[C@H]2CC[C@H](N2C([2H])([2H])[2H])C[C@@H]1OC(=O)C3=CC=CC=C3
Canonical SMILES	CCOC(=O)C1C2CCC(N2C)CC1OC(=O)C3=CC=CC=C3
InChI	InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15-,16+/m0/s1/i1D3,2D3,3D2
InChI Key	NMPOSNRHZIWLLL-DKCRSESOSA-N
Purity	98% by CP; 98% atom D
Storage	Store at -20°C