NCS
中国新化学物质查询
盐酸丁丙诺非(buprenorphine hydrochlorie)
Buprenorphine Hcl, UNII-56W8MW3EN1, Buprenex, Norspan, Butrans, Subutex, DEA No. 9064, Finibron
CAS号: 53152-21-9
IUPAC名称: (1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol;hydrochloride
分子式: C29H42ClNO4
分子量: 504.10100
InChI: InChI=1S/C29H41NO4.ClH/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28;/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3;1H/t20-,21-,24-,26+,27-,28+,29-;/m1./s1
InChIKey: UAIXRPCCYXNJMQ-RZIPZOSSSA-N
SMILES: C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O.Cl
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