| 2D Structure | |
| CID | 446220 |
| Target | KCNH2 , SLC6A2 , SLC6A3 , SLC6A4 |
| IUPAC Name | methyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate |
| InChI | InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1 |
| InChI Key | ZPUCINDJVBIVPJ-LJISPDSOSA-N |
| Canonical SMILES | CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC |
| Isomeric SMILES | CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC |
| Molecular Formula | C17H21NO4 |
| Molecular Weight | 303.35 |
| synonyms | ['cocaine', 'Benzoylmethylecgonine', 'Neurocaine', 'Kokain', 'L-Cocaine', 'Cocain', 'Cocaina', 'beta-Cocain', '(-)-Cocaine', 'cocainum', 'Methyl Benzoylecgonine', 'l-Cocain', 'Eritroxilina', 'Erytroxylin', 'Bernies', 'Kokayeen', 'Burese', 'Corine', 'Kokan', 'Dama blanca', "Pimp's drug", '1-Cocaine', 'White girl or lady', 'Star-spangled powder', 'Snow', 'Nose candy', 'Cocaine, l-', '50-36-2', 'C Carrie', 'Blow [Street Name]', 'Girl [Street Name]', 'Lady [Street Name]', 'Rock [Street Name]', 'Toot [Street Name]', 'Cecil [Street Name]', 'Flake [Street Name]', '(r)-(-)-cocaine', 'Bernice [Street Name]', 'CHEBI:27958', 'HSDB 6469', 'Ecgonine, methyl ester, benzoate (ester)', 'Gold dust [Street Name]', '2-beta-Carbomethoxy-3-beta-benzoxytropane', 'Happy dust [Street Name]', 'UNII-I5Y540LHVR', 'I5Y540LHVR', '2beta-Carbomethoxy-3beta-benzoxytropane', 'IDS-NC-004', '3-Tropanylbenzoate-2-carboxylic acid methyl ester', 'Cholly [Street Name]', 'Cocaine [USP:BAN]', '(1R,2R,3S,5S)-2-Methoxycarbonyltropan-3-yl benzoate', '2-beta-Tropanecarboxylic acid, 3-beta-hydroxy-, methyl ester, benzoate (ester)', 'EINECS 200-032-7', 'RX0041', 'Star dust [Street Name]', 'Green gold [Street Name]', 'RX-0041', 'Happy trails [Street Name]', 'Methyl 3beta-hydroxy-1alphaH,5alphaH-tropane-2beta-carboxylate benzoate (ester)', 'Jam', 'DTXSID2038443', '2-Methyl-3beta-hydroxy-1alphaH,5alphaH-tropane-2beta-carboxylate benzoate (ester)', '3beta-Hydroxy-1alphaH,5alphaH-tropane-2beta-carboxylic acid methyl ester benzoate', '1-alpha-H,5-alpha-H-Tropane-2-beta-carboxylic acid, 3-beta-hydroxy-, methyl ester, benzoate', '3-(Benzoyloxy)-8-methyl-8-azabicyclo-(3.2.1)octane-2-carboxylic acid methyl ether', 'methyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate', 'Methyl 3-beta-hydroxy-1-alpha-H,5-alpha-H-tropane-2-beta-carboxylate benzoate (ester)', 'Blow (Street Name)', 'Girl (Street Name)', 'Lady (Street Name)', 'Rock (Street Name)', 'Toot (Street Name)', 'Ecgonine methyl ester benzoate (ester)', 'Cecil (Street Name)', 'Flake (Street Name)', '(1R,2R,3S,5S)-2-(methoxycarbonyl)tropan-3-yl benzoate', 'Cholly (Street Name)', 'Cocaine (USP:BAN)', 'Bernice (Street Name)', 'COCAINE (MART.)', 'COCAINE [MART.]', 'Gold dust (Street Name)', 'Star dust (Street Name)', '3beta-Hydroxy-2beta-tropanecarboxylic acid methyl ester benzoate (ester)', '8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R-(exo,exo))-', 'Green gold (Street Name)', 'Happy dust (Street Name)', 'Happy trails (Street Name)', 'methyl [1R-(exo,exo)]-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate', 'COCAINE (USP MONOGRAPH)', 'COCAINE [USP MONOGRAPH]', 'beta-Cocaine', '[1R-(exo,exo)]-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid, methyl ester', 'METHYL (1R,2R,3S,5S)-3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO(3.2.1) OCTANE-2-CARBOXYLATE', 'Ecgonine methyl ester benzoate', 'methyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylate', 'methyl (1R-(exo,exo))-3-(benzoyloxy)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylate', '(1R-(exo,exo))-3-(benzoyloxy)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylic acid, methyl ester', 'DTXCID501030562', 'METHYL 3B-HYDROXY-1alphaH,5alphaH-TROPANE-2beta-CARBOXYLATE BENZOATE (ESTER)', '200-032-7', 'Leaf', 'Cocaine free base', 'Coke', 'Bernice', 'Cholly', 'Cecil', 'Girl', 'Happy dust', 'Gold dust', 'Star dust', 'Crack cocaine', 'COC', 'Crack', 'Flake', 'Blow', 'Lady', 'Toot', 'Happy trails', 'Green gold', 'C" Carrie', 'Sleighride', 'Badrock', 'Bazooka', 'Blizzard', 'Cabello', 'Charlie', 'Cocktail', 'Goofball', 'Moonrocks', 'Blast', 'Candy', 'Caviar', 'Freeze', 'Heaven', 'Snort', 'Trails', 'Coca', 'Cola', 'Hell', 'Toke', 'Yeyo', 'Bouncing Powder', 'Chicken Scratch', 'Happy powder', 'Florida Snow', 'Sweet Stuff', 'Prime Time', 'Foo Foo', "Kibbles n' Bits", 'Snow (birds)', 'G-Rock', 'methyl (1R,2R,3S,5S)-8-methyl-3-[(phenylcarbonyl)oxy]-8-azabicyclo[3.2.1]octane-2-carboxylate', 'Line', 'Cocaine (-)', '1i7z', 'COCAINE [VANDF]', 'COCAINUM [HPUS]', 'COCAINE [HSDB]', 'COCAINE [MI]', 'COCAINE [WHO-DD]', 'Epitope ID:158626', 'SCHEMBL21930', 'CHEMBL370805', 'GTPL2286', 'DEA No. 9041', 'BDBM22418', 'Cocaine, 1mg/ml in Acetonitrile', '1q72', 'Cocaine 0.1 mg/ml in Acetonitrile', 'Cocaine 1.0 mg/ml in Acetonitrile', 'L-Cocaine (1.0 mg/ml in Methanol)', 'AKOS015965554', 'DB00907', 'FC111889', 'NS00000403', 'C01416', 'Q41576', '[1R-(exo,exo)]-3-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic Acid', '3.BETA.-HYDROXY-2.BETA.-TROPANECARBOXYLIC ACID METHYL ESTER BENZOATE (ESTER)', 'methyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate', 'METHYL 3B-HYDROXY-1.ALPHA.H,5.ALPHA.H-TROPANE-2.BETA.-CARBOXYLATE BENZOATE (ESTER)', '1-alpha-H,5-alpha-H-Tropane-2-beta-carboxylic acid, 3-beta-hydroxy-, methyl ester, benzoate (ester) (8CI)', '8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R,2R,3S,5S)- (9CI)'] |
From Pubchem