cas登录号:53-21-4

CAS号:53-21-4

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英文名:Cocaine Hydrochloride

别名:(1R,2R,3S,5R)-3-Benzoyloxy-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid Methyl Ester Hydrochloride; Methyl (1R,2R,3S,5R)-8-Methyl-3-(Phenylcarbonyloxy)-8-Azabicyclo[3.2.1]Octane-2-Carboxylate Hydrochloride; Sal De Merck

分子式:C17H22ClNO4

分子量:339.82

沸点:395.2°C at 760 mmHg

闪点:192.8°C

cas登录号:53-21-4

EINECS 登录号:200-167-1

分子行输入简码 SMILES:[C@@H]13N([C@H](CC1)C[C@H](OC(=O)C2=CC=CC=C2)[C@@H]3C(OC)=O)C.[H+].[Cl-]

国际化学标识码 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-;/m1./s1

国际化学标识检索码 InChIKey:PIQVDUKEQYOJNR-RWXTUVLLSA-N