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CAS: 519-09-5

الاسم: Benzoylecgonine

IUPAC: (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid

SMILES: CN1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C2

Canonical SMILES: CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)O

الصيغة الجزيئية: C16H19NO4

الوزن الجزيئي: 289.33

InChIKey: GVGYEFKIHJTNQZ-RFQIPJPRSA-N

InChI: InChI=1S/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

PubChem CID: 448223 →

مرادفات

benzoylecgonineEcgonine benzoate519-09-5(-)-Benzoylecgonineo-Benzoyl-(-)-ecgoninebenzoyl ecgonineDTXSID7046758CHEBI:410015353I8I6YS(1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acidDTXCID5026758(1R,2R,3S,5S)-8-methyl-3-[(phenylcarbonyl)oxy]-8-azabicyclo[3.2.1]octane-2-carboxylic acid(1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylic acid(1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylic acid(1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid(1R,2R,3S,5S)-8-methyl-3-((phenylcarbonyl)oxy)-8-azabicyclo(3.2.1)octane-2-carboxylic acidRefChem:5592(2R,3S)-3-(benzoyloxy)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylic acid(1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azoniabicyclo(3.2.1)octane-2-carboxylate208-263-5O-BenzoylecgonineBenzoylecgonine hydrateCAS-519-09-5Benzoyl Ecgonine (100?g/ml in Methanol)Benzoyl Ecgonine (1.0 mg/mL in Methanol)TheracysUNII-5353I8I6YSCocaine metaboliteNCGC00168248-01NCGC00168248-02

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