Benzoylecgonine
General
Type : Drug, Not A\/B H target, Alkaloid, Azabicyclo
Chemical_Nomenclature : (1S,3S,4R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid
Canonical SMILES : CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)O
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
InChIKey : GVGYEFKIHJTNQZ-RFQIPJPRSA-N
Other name(s) : O-Benzoylecgonine || (-)-Benzoylecgonine || O-Benzoyl-(-)-ecgonine || Benzoylecgonine solution
MW : 289.32
Formula : C16H19NO4
CAS_number : 519-09-5
PubChem : 448223
UniChem : GVGYEFKIHJTNQZ-RFQIPJPRSA-N
Target
Structures : No structure
Families : BCHE, Cocaine_esterase
References (2)
| Title : Metabolic Enzymes of Cocaine Metabolite Benzoylecgonine - Chen_2016_ACS.Chem.Biol_11_2186 |
| Author(s) : Chen X , Zheng X , Zhan M , Zhou Z , Zhan CG , Zheng F |
| Ref : ACS Chemical Biology , 11 :2186 , 2016 |
| Abstract : |
| PubMedSearch : Chen_2016_ACS.Chem.Biol_11_2186 |
| PubMedID: 27224254 |
| Title : Purification and characterization of a human liver cocaine carboxylesterase that catalyzes the production of benzoylecgonine and the formation of cocaethylene from alcohol and cocaine - Brzezinski_1994_Biochem.Pharmacol_48_1747 |
| Author(s) : Brzezinski MR , Abraham TL , Stone CL , Dean RA , Bosron WF |
| Ref : Biochemical Pharmacology , 48 :1747 , 1994 |
| Abstract : |
| PubMedSearch : Brzezinski_1994_Biochem.Pharmacol_48_1747 |
| PubMedID: 7980644 |
| Gene_locus related to this paper: human-CES1 |