小分子和化合物库

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  1. 乌拉地尔
      规格或纯度 :
    • ≥98%(HPLC)(T)
    CAS号: 34661-75-1        Compound CID : 5639
    分子式: C20H29N5O3        分子量: 387.48
    IUPAC Name: 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione
    SMILES: CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC
    InChIKey: ICMGLRUYEQNHPF-UHFFFAOYSA-N
    InChI: 1S/C20H29N5O3/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3/h4-5,7-8,15,21H,6,9-14H2,1-3H3
  2. 比拉斯汀
    CAS号: 202189-78-4
    分子式: C28H37N3O3        分子量: 463.62
    IUPAC Name: 2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid
    SMILES: CCOCCN1C2=CC=CC=C2N=C1C3CCN(CC3)CCC4=CC=C(C=C4)C(C)(C)C(=O)O
    InChIKey: ACCMWZWAEFYUGZ-UHFFFAOYSA-N
    InChI: 1S/C28H37N3O3/c1-4-34-20-19-31-25-8-6-5-7-24(25)29-26(31)22-14-17-30(18-15-22)16-13-21-9-11-23(12-10-21)28(2,3)27(32)33/h5-12,22H,4,13-20H2,1-3H3,(H,32,33)
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