CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5.O.O.O.O.O.O=S(=O)(O)O

CAS: 66591-53-5

名称: Morphine Sulphate pentahydrate

IUPAC: (4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;sulfuric acid;pentahydrate

SMILES: CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5.O.O.O.O.O.O=S(=O)(O)O

Canonical SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O.O.O.O.O.O.OS(=O)(=O)O

分子式: C17H31NO12S

分子量: 473.50

InChIKey: XJIXIEBYTLLFCV-FAISOMDOSA-N

InChI:

InChI=1S/C17H19NO3.H2O4S.5H2O/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;1-5(2,3)4;;;;;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;(H2,1,2,3,4);5*1H2/t10-,11+,13-,16-,17-;;;;;;/m0....../s1

PubChem CID: 6436139 →

同義語

SCHEMBL617118DTXSID00985186Sulfuric acid--17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol--water (1/1/5)66591-53-5Sulfuric acid--17-methyl-5alpha-7,8-didehydro-4,5-epoxymorphinan-3,6alpha-diol--water (1/1/5)

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