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CAS No 519-09-5 , 8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-(benzoyloxy)-8-methyl-, (1R,2R,3S,5S)-

  • Name: 8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-(benzoyloxy)-8-methyl-, (1R,2R,3S,5S)-
  • Synonyms: (-)-Benzoylecgonine; O-Benzoylecgonine; Ecgonine, benzoate (6CI,7CI); Benzoylecgonine; O-Benzoyl-(-)-ecgonine;1aH,5aH-Tropane-2b-carboxylic acid, 3b-hydroxy-, benzoate (ester) (8CI);8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-(benzoyloxy)-8-methyl-, (1R,2R,3S,5S)-; 8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-(benzoyloxy)-8-methyl-, [1R-(exo,exo)]-;
  • CAS Registry Number:
  • Transport: UN 1230 3
  • Melting Point: 195ºC
  • Density: 1.29 g/cm3
  • Refractive index: 1.599
  • Safety Statements: 16-36/37-45
  • Hazard Symbols: T: Toxic;F: Flammable;
  • EINECS: 208-263-5
  • Molecular Weight: 289.3264
  • InChI: InChI=1/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1
  • Risk Statements: 11-23/24/25-39/23/24/25-25
  • Molecular Formula: C16H19 N O4
  • Molecular Structure:CAS No:519-09-5 8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-(benzoyloxy)-8-methyl-, (1R,2R,3S,5S)-

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519-09-5 BENZOYLECGONINE

  • Hong kong Advanced Technology & Industrial Co., Ltd. [Manufacturer]
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519-09-5 Benzoylecgonine

  • Benzoylecgonine
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519-09-5 8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-(benzoyloxy)-8-methyl-, (1R,2R,3S,5S)-

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519-09-5 BENZOYLECGONINE ( (123S,5S)-3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID )

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References of 8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-(benzoyloxy)-8-methyl-, (1R,2R,3S,5S)-
Title: Benzoylecgonine
CAS Registry Number: 519-09-5
CAS Name: 3-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
Synonyms: 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)