Title: Benzoylecgonine
CAS Registry Number: 519-09-5
CAS Name: 3-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
Additional Names: 3b-hydroxy-1aH,5aH-tropane-2b-carboxylic acid benzoate; ecgonine benzoate
Molecular Formula: C16H19NO4
Molecular Weight: 289.33
Percent Composition: C 66.42%, H 6.62%, N 4.84%, O 22.12%
Literature References: Cocaine metabolite. Isoln from coca leaves: De Jong, Rec. Trav. Chim. 42, 980 (1923). Prepn from l-ecgonine and benzoic anhydride: idem, ibid. 66, 544 (1947).
Derivative Type: Tetrahydrate
Properties: Orthorhombic prisms or needles from water, mp 86-92° (dec 195°, dry). [a]D15 -45° (c = 3 in abs alc). Soluble in alc, hot H2O.
Melting point: mp 86-92° (dec 195°, dry)
Optical Rotation: [a]D15 -45° (c = 3 in abs alc)
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