Cocaethylene

cas: 529-38-4 — see every product listed under this CAS number, including other names

Cocaethylene (CAS 529-38-4) is a chemical reagent available from Chemat. Available pack sizes: 50mg, 100mg, 10mg. Offered by: Lipomed.

brandLipomed
catalog numberLPM-COC-207-FB-50
cas529-38-4
size50mg
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Available pack sizes

brand size price
Lipomed 50mg price on request
Lipomed 100mg price on request
Lipomed 10mg price on request

properties

purityNo data
delivery timeTo be confirmed by Chemat
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

Also listed as

Cocaethylene (1mg/ml in Acetonitrile) TRC CAS 529-38-4
Cocaethylene, >95% (HPLC) TRC CAS 529-38-4
Cocaethylene (Benzoylethylecgonine) LoGiCal CAS 529-38-4
Cocaethylene (Benzoylethylecgonine) 0.1 mg/ml in Acetonitrile LoGiCal CAS 529-38-4
Cocaethylene (Benzoylethylecgonine) 1.0 mg/ml in Acetonitrile LoGiCal CAS 529-38-4
Cocaethylene, 1mg/ml in Acetonitrile Lipomed CAS 529-38-4
Cocaethylene (CRM) GLPBio CAS 529-38-4