Chemical Properties of Allococaine (CAS 668-19-9)

Allococaine

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InChI
InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3
InChI Key
ZPUCINDJVBIVPJ-UHFFFAOYSA-N
Formula
C17H21NO4
SMILES
COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C
Molecular Weight1
303.35
CAS
668-19-9
Other Names
  • Methyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate, [1R-(2-exo,3-endo)]-
  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, [1R-(2-exo,3-endo)]-
  • (R)-Allococaine
  • Cocaine
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Physical Properties

Property Value Unit Source
log10WS -2.80 Crippen Calculated Property
logPoct/wat 1.868 Crippen Calculated Property
McVol 229.770 ml/mol McGowan Calculated Property

Similar Compounds

Cocaine. Pseudococaine. 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, ethyl ester, [1R-(exo,exo)]-. m-Hydroxycocaine. Benzoylecgonine. Benzoylecgonine-TMS. Propionylecgonine methyl ester. Benzoylecgonine, tert-butyldimethylsilyl ester. Cinnamoylcocaine. Benzoylnorecgonine, trimethylsilyl ester. Mandelic acid, «alpha»-cyclopentyl-, 1-methyl-4-piperidyl ester. 1-Methyl-4-piperidyl cyclohexylphenylglycolate. Cyclopentyl-hydroxy-phenyl-acetic acid 1-methyl-pyrrolidin-3-yl ester. Thymidine, 3'-O-TMS, 5'-O-cyclotetramethylene-isopropylsilyl. 5-Methyluridine, 2',3',5'-tris-O-TBDMS.

Find more compounds similar to Allococaine.

Sources

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