小分子和化合物库

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  1. 左氧氟沙星
    CAS号: 100986-85-4
    分子式: C18H20FN3O4        分子量: 361.37
    IUPAC Name: (2S)-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-JTQLQIEISA-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)/t10-/m0/s1
  2. 5'-O-(4,4'-二甲氧基三苯甲基)尿苷
    CAS号: 81246-79-9
    分子式: C30H30N2O8        分子量: 546.58
    IUPAC Name: 1-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione
    SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(C(C(O4)N5C=CC(=O)NC5=O)O)O
    InChIKey: PCFSNQYXXACUHM-YULOIDQLSA-N
    InChI: 1S/C30H30N2O8/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(38-2)15-11-21)39-18-24-26(34)27(35)28(40-24)32-17-16-25(33)31-29(32)36/h3-17,24,26-28,34-35H,18H2,1-2H3,(H,31,33,36)/t24-,26-,27-,See more
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