Products 529-38-4

CAS 529-38-4 appears in our catalog under these names: Cocaethylene (1mg/ml in Acetonitrile), Cocaethylene, >95% (HPLC), Cocaethylene, Cocaethylene (Benzoylethylecgonine), Cocaethylene (Benzoylethylecgonine) 0.1 mg/ml in Acetonitrile. Offered by: TRC, Lipomed, LoGiCal, GLPBio. Available pack sizes: 5x1ml, 10mg, 2,5mg, 50mg, 100mg, 1ml, 1mg.

Cocaethylene (1mg/ml in Acetonitrile)
TRC
  • size: 5x1ml
  • Variants: 1
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Cocaethylene, >95% (HPLC)
TRC
  • size: 10mg, 2,5mg, 50mg
  • Variants: 3
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Cocaethylene
Lipomed
  • size: 50mg, 100mg, 10mg
  • Variants: 3
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Cocaethylene (Benzoylethylecgonine)
LoGiCal
  • size: 10mg
  • Variants: 1
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Cocaethylene (Benzoylethylecgonine) 0.1 mg/ml in Acetonitrile
LoGiCal
  • size: 1ml
  • Variants: 1
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Cocaethylene (Benzoylethylecgonine) 1.0 mg/ml in Acetonitrile
LoGiCal
  • size: 1ml
  • Variants: 1
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Cocaethylene, 1mg/ml in Acetonitrile
Lipomed
  • size: 1ml
  • Variants: 1
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Cocaethylene (CRM)
GLPBio
  • size: 1mg
  • Variants: 1
from 568.96
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Structural formula: {0} (CAS {1})

Cocaethylene is a benzoate ester.

Source: ChEBI

Identity
Molecular formulaC18H23NO4
Molecular weight317.4 g/mol
IUPAC nameethyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
InChIKeyNMPOSNRHZIWLLL-XUWVNRHRSA-N
SMILESCCOC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1OC(=O)C3=CC=CC=C3

Computed by PubChem (NCBI)

Synonyms: cocaethylene, Ethylcocaine, Homococaine, Homocaine, Ethylbenzoylecgonine, benzoylecgonine ethyl ester, O-Benzoyl-l-ecgonine ethyl ester, coca-ethylene, Cocaethyline, Ethyl benzoylecgonine
Related forms of this compound
1,1,2,2,2-pentadeuterioethyl (1R,2R,3S,5S)-3-benzoyloxy-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octane-2-carboxylate C18H23NO4
ethyl (1R,2R,3S,5S)-3-benzoyloxy-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octane-2-carboxylate C18H23NO4
Isomers (same molecular formula)
1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,1'-cyclopentane]-5-carboxylic acid C18H23NO4
5-(4-methoxyphenyl)-1-(3-methoxypropyl)-2,4-dimethylpyrrole-3-carboxylic acid C18H23NO4
methyl 4-(phenylmethoxycarbonylamino)bicyclo[2.2.2]octane-1-carboxylate C18H23NO4
tert-butyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate C18H23NO4
6-O-benzyl 2-O-ethyl 6-azaspiro[2.5]octane-2,6-dicarboxylate C18H23NO4
2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]benzoic acid C18H23NO4
2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxylic acid C18H23NO4
ditert-butyl indole-1,6-dicarboxylate C18H23NO4
tert-butyl 4-(phenylmethoxycarbonylamino)cyclopent-2-ene-1-carboxylate C18H23NO4
4-(3-phenylpropanoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid C18H23NO4