197720-53-9 ((Exatecan mesylate hydrate)

CAS号:
197720-53-9
英文名称:
Exatecan mesylate hydrate
分子式:
C25H30FN3O9S
分子量:
567.583809375763

Exatecan mesylate hydrate(197720-53-9)名称与标识符

名称

英文别名:
Exatecan mesylate hydrate;(1S,9S)-1-amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-1,2,3,9,12,15-hexahydro-10H,13H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione methanesulfonate hydrate (1:1:2);Exatecan mesilate hydrate;Exatecan mesilate hydrate (JAN);Exatecan mesylate (USAN);Exatecan mesylate;A936338;exatecan mesylate dihydrate;Exatecan mesilate, DX-8951f;(1S-trans)-1-Amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-10H, 13H-benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-10,13-dione monomethanesulfonate (salt), dihydrate;EXATECAN MESILATE HYDRATE [JAN];UNII-D2VJ1CC26Q;Exatecan (mesylate dihydrate);DTXSID20941547;D01432;EXATECAN MESILATE DIHYDRATE [WHO-DD];10H,13H-Benzo(de)pyrano(3'm4':6,7)indolizino(1,2-b)quinoline-10,13-dione, 1-amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-, (1S-trans)-, methanesulfonate (1:1) (salt), dihydrate;AC-36559;(1S,9S)-1-AMINO-9-ETHYL-5-FLUORO-1,2,3,9,12,15-HEXAHYDRO-9-HYDROXY-4-METHYL-10H, 13H-BENZO(DE)PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLINE-10,13-DIONE MONOMETHANESULPHONATE (SALT), DIHYDRATE;CHEBI:31587;CS-0377110;(1S-TRANS)-1-AMINO-9-ETHYL-5-FLUORO-1,2,3,9,12,15-HEXAHYDRO-9-HYDROXY-4-METHYL-10H, 13H-BENZO(DE)PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLINE-10,13-DIONE MONOMETHANESULPHONATE (SALT), DIHYDRATE;Exatecan mesilate dihydrate;Exatecan mesylate [USAN];CHEMBL3989759;D2VJ1CC26Q;197720-53-9;10H,13H-BENZO(DE)PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLINE-10,13-DIONE, 1-AMINO-9-ETHYL-5-FLUORO-1,2,3,9,12,15-HEXAHYDRO-9-HYDROXY-4-METHYL-, (1S,9S)-, METHANESULFONATE HYDRATE(1:1:2);EX-A4327;HY-13631P;(10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanesulfonic acid;dihydrate;(1s,9s)-1-Amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-2,3,9,10,13,15-hexahydro-1h,12h-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione mesylate dihydrate;DX-8951f;Exatecan methanesulfonate dihydrate;Methanesulfonic acid--1-amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-1,2,3,9,12,15-hexahydro-10H,13H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione--water (1/1/2);Q27276021;(1S,9S)-1-Amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-10H, 13H-benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-10,13-dione monomethanesulfonate (salt), dihydrate;EXATECAN METHANESULFONATE DIHYDRATE [MI];(1S,9S)-1-Amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-10H,13H-benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-10,13-dione monomethanesulfonate dihydrate;(1S,9S)-1-amino-9-ethyl-5-fluoro-2,3-dihydro-9-hydroxy-4-methyl-1H,12H-benzo(de)pyrano(3',4'-6,7)indolizino(1,2-b)quinoline-10,13(9H,15H)dione methanesulfonate;(1S,9S)-1-Amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-10H,13H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione monomethanesulfonate dihydrate;DA-73273;

标识符

InChIKey:
FXQZOHBMBQTBMJ-MWPGLPCQSA-N
Inchi:
1S/C24H22FN3O4.CH4O3S.2H2O/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19;1-5(2,3)4;;/h6-7,16,31H,3-5,8-9,26H2,1-2H3;1H3,(H,2,3,4);2*1H2/t16-,24-;;;/m0.../s1
SMILES:
S(C)(=O)(=O)O.FC1=CC2=C3C(=C1C)CC[C@@H](C3=C1C(C3=CC4=C(COC([C@@]4(CC)O)=O)C(N3C1)=O)=N2)N.O.O

Exatecan mesylate hydrate(197720-53-9)物化性质

计算特性

  • 精确分子量 : 567.16867888g/mol
  • 氢键供体数量 : 5
  • 氢键受体数量 : 12
  • 可旋转化学键数量 : 1
  • 同位素质量 : 567.16867888g/mol
  • 重原子数量 : 39
  • 复杂度 : 1040
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 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 : 4
  • 拓扑分子极性表面积 : 171Ų

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上海瀚思化工有限公司 18939883912
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上海绩祥生物科技有限公司 13093077543陆经理 3985448220
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上海麦克林生化科技股份有限公司 15221275939
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上海朗旭生物科技有限公司 13816874662
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上海禧耀医药科技有限公司 18017206244
021-61656503
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