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N-Demethyl Cocaethylene Hydrochloride, TRC

Product Code. 30357596
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100 mg
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Product Code. 30357596 Supplier Toronto Research Chemicals Supplier No. TRCD230860100MG
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Specifications

Chemical Name or Material N-Demethyl Cocaethylene Hydrochloride
CAS 362044-01-7
Molecular Formula C17H21NO4.HCl
Quantity 100 mg
Synonym (1R,2R,3S,5S)-3-(Benzoyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylic Acid Ethyl Ester Hydrochloride, [1R-(exo,exo)]-3-(Benzoyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylic Acid Ethyl Ester Hydrochloride, N-Demethylcocaethyline Hydrochloride, Norcocaethylene Hydrochloride, Norcocaethyline Hydrochloride, Norethylcocaine Hydrochloride, Norhomococaine Hydrochloride
InChI Formula InChI=1S/C17H21NO4.ClH/c1-2-21-17(20)15-13-9-8-12(18-13)10-14(15)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15,18H,2,8-10H2,1H3;1H/t12-,13+,14-,15+;/m0./s1
SMILES O=C(C1=CC=CC=C1)O[C@@H]2[C@@H]([C@]3([H])N[C@](CC3)([H])C2)C(OCC)=O.Cl
IUPAC Name ethyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylate hydrochloride
Molecular Weight (g/mol) 339.82
Formula Weight 339.13
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