850-57-7 (((5alpha)-6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan hydrochloride)

快速询单

结构式：

(5alpha)-6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan hydrochlorideMOL文件

CAS号：

850-57-7

英文名称：

(5alpha)-6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan hydrochloride

分子式：

C₁₉H₂₂ClNO₃

分子量：

347.835884571075

(5alpha)-6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan hydrochloride(850-57-7)名称与标识符

名称

英文别名：

(5alpha)-6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan hydrochloride;(4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline,hydrochloride;EINECS 212-704-7;Thebain hydrochlorid;Thebaine HCl;Thebaine hydrochloride;ANHYDROUS THEBAINE HYDROCHLORIDE;MLS001173486;MORPHINAN, 6,7,8,14-TETRADEHYDRO-4,5-EPOXY-3,6-DIMETHOXY-17-METHYL-, HYDROCHLORIDE (1:1), (5.ALPHA.)-;NSC 11428;SCHEMBL3501683;NSC11428;Morphinan, 6,7,8,14-tetradehydro-4,5alpha-epoxy-3,6-dimethoxy-17-methyl-, hydrochloride;(-)-Thebaine hydrochloride;Morphinan, 6,7,8,14-tetradehydro-4,5-alpha-epoxy-3,6-dimethoxy-17-methyl-, hydrochloride;NSC-11428;Thebain hydrochlorid [German];(5-.ALPHA.)-6,7,8,14-TETRADEHYDRO-4,5-EPOXY-3,6-DIMETHOXY-17-METHYLMORPHINAN HYDROCHLORIDE;DTXSID30234053;Q27896256;6,7,8,14-Tetradehydro-4,5-alpha-epoxy-3,6-dimethoxy-17-methylmorphinan hydrochloride;Morphinan,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methyl-, hydrochloride, (5.alpha.)-;NS00079592;CHEMBL1734374;Morphinan,7,8,14-tetradehydro-4,5.alpha.-epoxy-3,6-dimethoxy-17-methyl-, hydrochloride;8X5NCS8L60;850-57-7;AKOS032428074;UNII-8X5NCS8L60;SMR000538871;

标识符

InChIKey：

KTFNLKDWNNDGLZ-JFYDKBSOSA-N

Inchi：

1S/C19H21NO3.ClH/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20;/h4-7,13,18H,8-10H2,1-3H3;1H/t13-,18+,19+;/m1./s1

SMILES：

Cl.O1C2=C(C=CC3C[C@@H]4C5=CC=C([C@H]1[C@@]5(C=32)CCN4C)OC)OC

(5alpha)-6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan hydrochloride(850-57-7)物化性质

实验特性

LogP : 3.16440
PSA : 30.93000

计算特性

精确分子量 : 347.12900
氢键供体数量 : 1
氢键受体数量 : 4
可旋转化学键数量 : 2
同位素质量 : 347.1288213g/mol
重原子数量 : 24
复杂度 : 585
同位素原子数量 : 0
确定原子立构中心数量 : 3
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 2
拓扑分子极性表面积 : 30.9Å²

(5alpha)-6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan hydrochloride(850-57-7)相关文献

1. Nitrosation of thebaine leading to 7-substituted neopinone derivatives
K. W. Bentley,G. W. Kirby,A. P. Price,Serjinder Singh J. Chem. Soc. Perkin Trans. 1 1972 302
2. Novel analgesics and molecular rearrangements in the morphine–thebaine group. Part VIII. 7-Alkyl-6,14-endo-ethenotetrahydrothebaine and related compounds
K. W. Bentley,D. G. Hardy,J. W. Lewis,M. J. Readhead,W. I. Rushworth J. Chem. Soc. C 1969 826
3. Novel analgesics and molecular rearrangements in the morphine–thebaine group. Part XVI. Some derivatives of 6,14-endo-etheno-7,8-dihydromorphine
K. W. Bentley,J. D. Bower,J. W. Lewis J. Chem. Soc. C 1969 2569
4. Nitrosocarbonyl compounds as intermediates in the oxidative cleavage of hydroxamic acids
Gordon W. Kirby,James G. Sweeny J. Chem. Soc. Chem. Commun. 1973 704
5. Organic chemistry
J. Chem. Soc. Abstr. 1908 94 A933
6. Organic chemistry
J. Chem. Soc. Abstr. 1921 120 i645
7. Organic chemistry
J. Chem. Soc. Abstr. 1925 128 i1033
8. General and physical chemistry
J. Chem. Soc. Abstr. 1899 76 B621

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960化工网为您提供(5alpha)-6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan hydrochloride专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.850-57-7,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:850-57-7 国际站:850-57-7