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Morphinan-6-one,17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-3-(phenylmethoxy)-, (5a)- | 153567-11-4

Morphinan-6-one,17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-3-(phenylmethoxy)-, (5a)-结构式图片|153567-11-4结构式图片
Morphinan-6-one,17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-3-(phenylmethoxy)-, (5a)-
153567-11-4
C27H29NO4
431.52346
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:Morphinan-6-one,17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-3-(phenylmethoxy)-, (5a)-结构式
5748515
名称和标识符
InChIKey ZLMLSUIQTYFLKF-UHFFFAOYSA-N
Inchi InChI=1S/C27H29NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,17,19,21,25,29,31H,6-7,10-15H2
SMILES C1C=CC(CC2C(=O)C3C45CCN(CC6CC6)C(C4(O)C2)CC2=C5C(O3)=C(C=C2)O)=CC=1
别名信息
- 中文别名 -
- 英文别名 -
  • Morphinan-6-one,17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-3-(phenylmethoxy)-, (5a)-
  • 17-(cyclopropylmethyl)-7-benzyl-4,5-epoxy-3,14-dihydroxymorphinan-6-one
  • 17-cyclopropylmethyl-4,5a-epoxy-3-benzyloxy-14-hydroxy-morphinan-6-one
  • 3-Benzylnaltrexone
  • 153567-11-4
  • DTXSID80934778
  • (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-9-phenylmethoxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
  • Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-3-(phenylmethoxy)-, (5alpha)-
  • 17-Cpm-nal
  • 17-cyclopropylmethyl-4,5alpha-epoxy-3-benzyloxy-14-hydroxy-morphinan-6-one
  • 17-(Cyclopropylmethyl)-4,5alpha-epoxy-14-hydroxy-3-(phenylmethoxy)morphinan-6-one
  • NIBRTUHQXLSONU-LHIMOPHOSA-N
  • 3-(Benzyloxy)-17-(cyclopropylmethyl)-14-hydroxy-4,5-epoxymorphinan-6-one
  • 17-cyclopropylmethyl-4,5alpha-epoxy-3-benzyloxy-14-hydroxy morphinan-6-one
  • 17-(Cyclopropylmethyl)-7-benzyl-4,5-epoxy-3,14-dihydroxymorphinan-6-one
  • SCHEMBL3825311
  • 3-O-Benzylnaltrexone
物化性质
实验特性
LogP 3.64040
PSA 70.00000
溶解度 Dichloromethane; Acetone; Methanol;
计算特性
精确分子量 432.21700
氢键供体数量 1
氢键受体数量 5
可旋转化学键数量 5
同位素质量 431.20965841g/mol
重原子数量 32
复杂度 763
同位素原子数量 0
确定原子立构中心数量 4
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 1
疏水参数计算参考值(XlogP) 3.7
拓扑分子极性表面积 59Ų
专业数据库参考
PubChemId 5748515
参考资料
Reaxys RN
Morphinan-6-one,17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-3-(phenylmethoxy)-, (5a)-推荐生产厂家
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