947687-01-6 (伊立替康杂质G,7,11-Diethyl-10-hydroxycamptothecin)

CAS号:
947687-01-6
中文名称:
伊立替康杂质G
英文名称:
7,11-Diethyl-10-hydroxycamptothecin
分子式:
C24H24N2O5
分子量:
420.457766532898

伊立替康杂质G(947687-01-6)名称与标识符

名称

中文别名:
7,11-二乙基-10-羟基喜树碱;7,11二乙基-10-羟基喜树碱;伊立替康杂质G;
英文别名:
7,11-Diethyl-10-hydroxycamptothecin;(4S)-4,8,11-Triethyl-4,9-dihydroxy-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione (ACI);(S)-4,8,11-Triethyl-4,9-dihydroxy-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione;XIS57GM9TN;7,11-Diethyl-10-hydroxy camptothecin [USP];7,11-diethyl-10-hydroxy camptothecin;1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4,8,11-triethyl-4,9-dihydroxy-, (4S)-;(S)-4,8,11-Triethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14-(4H,12H)-dione;947687-01-6;(4S)-4,8,11-Triethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; Irinotecan USP Impurity G;SCHEMBL5649602;CS-0164094;(S)-4,8,11-TRIETHYL-4,9-DIHYDROXY-1H-PYRANO[3?,4?:6,7]INDOLIZINO[1,2-B]QUINOLINE-3,14-(4H,12H)-DIONE;(19S)-6,10,19-triethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;AC8365;(S)-4,8,11-triethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione? (Irinotecan Impurity pound(c);(S)-4,8,11-Triethyl-4,9-dihydroxy-1H-pyrano(3,4:6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione;XMB68701;(4S)-4,8,11-Triethyl-4,9-dihydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione;UNII-XIS57GM9TN;(S)-4,8,11-Triethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione;7,11-DIETHYL-10-HYDROXY CAMPTOTHECIN [USP IMPURITY];

标识符

MDL:
MFCD28138953
InChIKey:
BQAJEBSARMNUPK-DEOSSOPVSA-N
Inchi:
1S/C24H24N2O5/c1-4-12-7-18-14(8-20(12)27)13(5-2)15-10-26-19(21(15)25-18)9-17-16(22(26)28)11-31-23(29)24(17,30)6-3/h7-9,27,30H,4-6,10-11H2,1-3H3/t24-/m0/s1
SMILES:
O1C([C@](CC)(C2C=C3C4C(=C(CC)C5C=C(C(CC)=CC=5N=4)O)CN3C(C=2C1)=O)O)=O

伊立替康杂质G(947687-01-6)物化性质

计算特性

  • 精确分子量 : 420.16852187g/mol
  • 氢键供体数量 : 2
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 3
  • 同位素质量 : 420.16852187g/mol
  • 重原子数量 : 31
  • 复杂度 : 866
  • 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 : 1
  • 疏水参数计算参考值(XlogP) : 2.2
  • 拓扑分子极性表面积 : 100

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