| 2D Structure | |
| CID | 656832 |
| IUPAC Name | methyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride |
| InChI | InChI=1S/C17H21NO4.ClH/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;1H/t12-,13+,14-,15+;/m0./s1 |
| InChI Key | PIQVDUKEQYOJNR-VZXSFKIWSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C17H22ClNO4 |
| Molecular Weight | 339.8 |
| synonyms | ['COCAINE HYDROCHLORIDE', '53-21-4', 'Cocaine HCl', 'Cocain-chlorhydrat', 'Cocainum muriaticum', '(-)-Cocaine hydrochloride', 'Cocaine chloride', 'Cocaine hydrochloride cii', 'XH8T8T6WZH', 'l-Cocaine hydrochloride', 'GOPRELTO', 'NUMBRINO', 'DTXSID2048903', 'MCV 4526', 'NIH 8211', 'NSC-25263', 'DTXCID5028829', 'RX-0041-002', 'Methyl 3-beta-hydroxy-1-alpha-H,5-alpha-H-tropan-2-beta-carboxylate, benzoate (ester) HCl', 'CHEBI:613010', 'NSC25263', 'HCl, Cocaine', 'Hydrochloride, Cocaine', 'RefChem:5702', 'cocaine hydrochloride nasal', '(1R,2R,3S,5S)-2-Methoxycarbonyl-8-methyl-8-azabicyclo(3.2.1)oct-3-yl benzoate monohydrochloride', '200-167-1', 'Cocaine muriate', 'Sal de merck', 'methyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride', 'Methyl 3beta-hydroxy-1alphaH,5alphaH-tropan-2beta-carboxylate, benzoate (ester) hydrochloride', '8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, hydrochloride, (1R-(exo,exo))-', 'Cocaine Hydrochloride (1.0 mg/ml in Methanol)', 'Cocaine Hydrochloride (1.0mg/ml in Acetonitrile)', 'UNII-XH8T8T6WZH', 'NSC 25263', 'Cocain-chlorhydrat [German]', 'Cocaine hydrochloride [JAN]', '1alpha-H,5alpha-H-Tropane-2beta-carboxylic acid, 3beta-hydroxy-,', 'Cocaine hydrochloride [USP:JAN]', '8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-(BENZOYLOXY)-8-METHYL-, METHYL ESTER, HYDROCHLORIDE (1:1), (1R,2R,3S,5S)-', '8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, hydrochloride (1:1), (1R,2R,3S,5S)-', 'EINECS 200-167-1', 'NCGC00159467-03', '(-)-Cocaine hydrochlori de', 'SCHEMBL186755', 'CHEMBL529437', 'COCAINE HYDROCHLORIDE [MI]', 'COCAINUM MURIATICUM [HPUS]', '1-alpha-H,5-alpha-H-Tropane-2-beta-carboxylic acid, 3-beta-hydroxy-, methyl ester, benzoate (ester), hydrochloride', 'Tox21_112883', 'COCAINE HYDROCHLORIDE [VANDF]', 'COCAINE HYDROCHLORIDE [MART.]', 'AKOS024457309', 'COCAINE HYDROCHLORIDE [WHO-DD]', 'FC20529', 'CAS-53-21-4', '(1R,2R,3S,5S)-3-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic Acid Methyl Ester Hydrochloride', 'Cocaine hydrochloride, analytical standard', 'COCAINE HYDROCHLORIDE [ORANGE BOOK]', 'COCAINE HYDROCHLORIDE CII [USP-RS]', 'COCAINE HYDROCHLORIDE [EP MONOGRAPH]', 'Cocaine Hydrochloride (1 mg/ml in Methanol)', 'COCAINE HYDROCHLORIDE [USP MONOGRAPH]', 'NS00078986', 'Cocaine Hydrochloride (1 mg/ml in Acetonitrile)', 'Cocaine.HCl, 1mg/ml in Methanol (as free base)', 'Q27225784', 'Cocaine hydrochloride, United States Pharmacopeia (USP) Reference Standard', '1alphaH,5alphaH-Tropane-2beta-carboxylic acid, 3beta-hydroxy-, methyl ester, benzoate (ester), hydrochloride', '8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, hydrochloride, (1R,2R,3S,5S)-', 'METHYL (1R,2R,3S,5S)-3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO(3.2.1) OCTANE-2-CARBOXYLATE HYDROCHLORIDE', 'Methyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate--hydrogen chloride (1/1)'] |
From Pubchem