小分子和化合物库

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  1. 马替普林盐酸盐
      规格或纯度 :
    • ≥99%(HPLC)
    CAS号: 10347-81-6
    分子式: C20H23N·HCl        分子量: 313.86
    IUPAC Name: N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine;hydrochloride
    SMILES: CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24.Cl
    InChIKey: NZDMFGKECODQRY-UHFFFAOYSA-N
    InChI: 1S/C20H23N.ClH/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20;/h2-5,7-10,15,21H,6,11-14H2,1H3;1H
  2. 氧氟沙星
    CAS号: 82419-36-1
    分子式: C18H20FN3O4        分子量: 361.37
    IUPAC Name: 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
    SMILES: CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O
    InChIKey: GSDSWSVVBLHKDQ-UHFFFAOYSA-N
    InChI: 1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)
  3. 盐酸拓扑替康
    CAS号: 119413-54-6
    分子式: C23H24ClN3O5        分子量: 457.91
    IUPAC Name: (19S)-8-[(dimethylamino)methyl]-19-ethyl-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;hydrochloride
    SMILES: CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O.Cl
    InChIKey: DGHHQBMTXTWTJV-BQAIUKQQSA-N
    InChI: 1S/C23H23N3O5.ClH/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20;/h5-8,27,30H,4,9-11H2,1-3H3;1H/t23-;/m0./s1
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