155773-58-3 (勒托替康二盐酸盐,11H-1,4-Dioxino[2,3-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-9,12(8H,14H)-dione,8-ethyl-2,3-dihydro-8-hydroxy-15-[(4-methyl-1-piperazinyl)methyl]-,hydrochloride (1:2), (8S)-)

CAS号:
155773-58-3
中文名称:
勒托替康二盐酸盐
英文名称:
11H-1,4-Dioxino[2,3-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-9,12(8H,14H)-dione,8-ethyl-2,3-dihydro-8-hydroxy-15-[(4-methyl-1-piperazinyl)methyl]-,hydrochloride (1:2), (8S)-
分子式:
C28H32Cl2N4O6
分子量:
591.482885360718

勒托替康二盐酸盐(155773-58-3)名称与标识符

名称

中文别名:
勒托替康二盐酸盐;
英文别名:
11H-1,4-Dioxino[2,3-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-9,12(8H,14H)-dione,8-ethyl-2,3-dihydro-8-hydroxy-15-[(4-methyl-1-piperazinyl)methyl]-,hydrochloride (1:2), (8S)-;11H-1,4-Dioxino[2,3-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-9,12(8H,14H)-dione,8-ethyl-2,3-dihydro-8-hydroxy-15-[(4-met;11H-1,4-Dioxino[2,3-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-9,12(8H,14H)-dione,8-ethyl-2...;(8S)-8-Ethyl-2,3-dihydro-8-hydroxy-15-((4-methyl-1-piperazinyl)methyl)-11H-p-dioxino(2,3-g)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-9,12(8H,14H)-dione dihydrochloride;11H-1,4-Dioxino(2,3-g)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-9,12(8H,14H)-dione, 8-ethyl-2,3-dihydro-8-hydroxy-15-((4-methyl-1-piperazinyl)methyl)-, dihydrochloride, (S);GI 147211C;Lurtotecan dihydrochloride;Lurtotecan HCl;UNII-S31P37BX03;LURTOTECAN HYDROCHLORIDE;GI-147211C;Lurtotecan dihydrochloride [USAN];GI147211C;Lurtotecan dihydrochloride (USAN);SCHEMBL1649335;(18S)-18-ethyl-18-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-6,9,20-trioxa-13,24-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5(10),11,13,15,17(22)-heptaene-19,23-dione;dihydrochloride;S31P37BX03;D04822;CHEMBL2447951;DTXSID40165965;11H-1,4-Dioxino(2,3-g)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-9,12(8H,14H)-dione, 8-ethyl-2,3-dihydro-8-hydroxy-15-((4-methyl-1-piperazinyl)methyl)-, dihydrochloride, (8S)-;Q27288512;155773-58-3;

标识符

InChIKey:
ORIWMYRMOGIXGG-ZXVJYWQYSA-N
Inchi:
1S/C28H30N4O6.2ClH/c1-3-28(35)20-11-22-25-18(14-32(22)26(33)19(20)15-38-27(28)34)17(13-31-6-4-30(2)5-7-31)16-10-23-24(12-21(16)29-25)37-9-8-36-23;;/h10-12,35H,3-9,13-15H2,1-2H3;2*1H/t28-;;/m0../s1
SMILES:
Cl.Cl.O1C([C@](CC)(C2C=C3C4C(CN3C(C=2C1)=O)=C(C1C=C2C(=CC=1N=4)OCCO2)CN1CCN(C)CC1)O)=O

勒托替康二盐酸盐(155773-58-3)物化性质

实验特性

  • 沸点 : 844.8°Cat760mmHg
  • 闪点 : 464.7°C
  • 密度 : g/cm3

计算特性

  • 精确分子量 : 590.16989
  • 氢键供体数量 : 3
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 3
  • 同位素质量 : 590.16989
  • 重原子数量 : 40
  • 复杂度 : 1070
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 1
  • 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 : 3
  • 拓扑分子极性表面积 : 105

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