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Benzoylecgonine
[CAS# 519-09-5]

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Identification
Classification Analytical chemistry >> Standard >> Forensic and veterinary standards
Name Benzoylecgonine
Synonyms (2R,3S)-8-Methyl-3-(Oxo-Phenylmethoxy)-8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid; (2R,3S)-8-Methyl-3-Phenylcarbonyloxy-8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid; Benzoylecgonine
Molecular Structure CAS#: 519-09-5, Benzoylecgonine
Molecular Formula C16H19NO4
Molecular Weight 289.33
CAS Registry Number 519-09-5
EINECS 208-263-5
SMILES [C@H]2(C1N(C(CC1)C[C@@H]2OC(=O)C3=CC=CC=C3)C)C(O)=O
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
InChIKey GVGYEFKIHJTNQZ-CLRIEMFWSA-N
Properties
Density 1.297g/cm3 (Cal.)
Boiling point 442.439°C at 760 mmHg (Cal.)
Flash point 221.38°C (Cal.)
Safety Data
Controlled Substance DEA Drug Code Number: 9180 Details
CSA Schedule: II
Is Narcotics? Yes
SDS Available
References
(1) Fan Li, Juan Zhang, Xuni Cao, Lihua Wang, Di Li, Shiping Song, Bangce Ye and Chunhai Fan. Adenosine detection by using gold nanoparticles and designed aptamer sequences, Analyst, 2009, 134, 1355.
Market Analysis Reports
List of Reports Available for Benzoylecgonine
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