81496-82-4 (双氢青蒿素,Dihydroartemisinin)

CAS号:
81496-82-4
中文名称:
双氢青蒿素
英文名称:
Dihydroartemisinin
分子式:
C15H24O5
分子量:
284.34806

双氢青蒿素(81496-82-4)名称与标识符

名称

中文别名:
双氢青蒿素;二氢青蒿素;双氢青蒿素,Dihydroartemisinin;
英文别名:
Dihydroartemisinin;3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-ol,decahydro-3,6,9-trimethyl-, [3R-(3a,5ab,6b,8ab,9a,10a,12b,12aR*)]-;Alaxin;Cotecxin;Dihydroartemisinine;Dihydroqinghaosu;Dynamax;Salaxin;Santecxin;b-Dihydroartemisinin;DHQHS 2;GTPL9957;3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-ol, decahydro-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,10S,12R,12aR)-;CS-5595;(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-TRIMETHYL-11,14,15,16-TETRAOXATETRACYCLO[10.3.1.0?,(1)(3).0?,(1)(3)]HEXADECAN-10-OL;Artenimol (INN);ARTENIMOL [MART.];DIHYDROARTEMISININ [USP-RS];DIHYDROARTEMISININ, BETA-;AKOS032949625;DIHYDROARTEMISININ [MI];NS00071253;NSC 758682;A11600;artemisinin, dihydro-;ARTENIMOL [WHO-DD];P01BE05;98%,mixture of ;dehydroartemisin;Artemisinin, dihydro;3,12-Epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10-ol, decahydro-3,6,9-trimethyl-, (3R-(3alpha,5abeta,6beta,8abeta,9alpha,10alpha,12beta,12aR*))-;(3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-ol;BJDCWCLMFKKGEE-ISOSDAIHSA-N;UNII-6A9O50735X;(3R,5aS,6R,8aS,9R,10S,12R,12aR)-Decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10-ol;3,12-Epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10-ol, decahydro-3,6,9-trimethyl-,(3R-(3-alpha,5a-beta,6-beta,8a-beta,9-alpha,10-alpha,12-beta,12aR*)-;GNF-PF-5634;6A9O50735X;.beta.-dihydroartemisinin;(3r,5as,6r,8as,9r,10s,12r,12ar)-decahydro-3,6,9-trimethyl-3,12-epoxy-12h-pyrano(4,3-j)(1,2)benzodioxepin-10-ol;quinghaosu, dihydro-;ARTENIMOLUM [WHO-IP LATIN];A and ;Dihydroartemisinin, .beta.-;DTXSID501021652;EN300-7419972;DIHYDROARTEMISININ [WHO-DD];DTXSID5045962;SCHEMBL17156483;HY-N0176;Artenimol;ARTENIMOL [WHO-IP];DIHYDROARTEMISININ (USP-RS);71939-50-9;UNII-X0UIV26ABX;CHEBI:135921;Di-hydroqinghaosu;(3R,5AS,6R,8AS,9R,10S,12R,12AR)-3,6,9-TRIMETHYLDECAHYDRO-3,12-EPOXY-12H-PYRANO(4,3-J)-1,2-BENZODIOXEPIN-10-OL;BRD-K62213621-001-01-6;(3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-12H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-ol;(3r,5as,6r,8as,9r,10s,12r,12ar)-decahydro-3,6,9-trimethyl-3,12-epoxy-12h-pyrano[4,3-j][1,2]benzodioxepin-10-ol;(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0^{4,13}.0^{8,13}]hexadecan-10-ol;Artenimol [INN];3,12-Epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10-ol, decahydro-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,10S,12R,12aR)-;I2-dihydroartemisinine;Artenimolum;EURARTESIM COMPONENT DIHYDROARTEMISININ;DTXCID3025962;81496-82-4;A isomers;Cotexin;ARTENIMOL (MART.);Dihydro Artemisinin;

标识符

InChIKey:
BJDCWCLMFKKGEE-ISOSDAIHSA-N
Inchi:
1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13+,14+,15-/m1/s1
SMILES:
O1[C@@]23[C@]4([H])O[C@@H]([C@H](C)[C@]2([H])CC[C@@H](C)[C@]3([H])CC[C@@](C)(O1)O4)O

双氢青蒿素(81496-82-4)物化性质

实验特性

  • 颜色与性状 : 固体

计算特性

  • 精确分子量 : 284.162
  • 氢键供体数量 : 1
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 0
  • 同位素质量 : 284.162
  • 重原子数量 : 20
  • 复杂度 : 415
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 7
  • 不确定原子立构中心数量 : 1
  • 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) : 2.5
  • 拓扑分子极性表面积 : 57.2A^2

双氢青蒿素(81496-82-4)安全信息