小分子和化合物库

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5 项目

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  1. 甲磺酸雷沙吉兰
      规格或纯度 :
    • ≥99%
    CAS号 : 161735-79-1        Compound CID : 3052775
    分子式: C12H13N·CH4O3S        分子量: 267.34
    IUPAC Name: methanesulfonic acid;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
    SMILES: CS(=O)(=O)O.C#CCNC1CCC2=CC=CC=C12
    InChIKey: JDBJJCWRXSVHOQ-UTONKHPSSA-N
    InChI: InChI=1S/C12H13N.CH4O3S/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12;1-5(2,3)4/h1,3-6,12-13H,7-9H2;1H3,(H,2,3,4)/t12-;/m1./s1
  2. 伊曲茶碱
    CAS号 : 155270-99-8        Compound CID : 5311037
    分子式: C20H24N4O4        分子量: 384.43
    IUPAC Name: 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione
    SMILES: CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)C=CC3=CC(=C(C=C3)OC)OC)C
    InChIKey: IQVRBWUUXZMOPW-PKNBQFBNSA-N
    InChI: InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+
  3. 利奈唑胺
    CAS号 : 165800-03-3        Compound CID : 441401
    分子式: C16H20FN3O4        分子量: 337.35
    IUPAC Name: N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
    SMILES: CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F
    InChIKey: TYZROVQLWOKYKF-ZDUSSCGKSA-N
    InChI: InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
  4. Sutezolid
      规格或纯度 :
    • ≥99%
    CAS号 : 168828-58-8        Compound CID : 465951
    分子式: C16H20FN3O3S        分子量: 353.41
    IUPAC Name: N-[[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
    SMILES: CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCSCC3)F
    InChIKey: FNDDDNOJWPQCBZ-ZDUSSCGKSA-N
    InChI: InChI=1S/C16H20FN3O3S/c1-11(21)18-9-13-10-20(16(22)23-13)12-2-3-15(14(17)8-12)19-4-6-24-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
  5. Raxatrigine hydrochloride
      规格或纯度 :
    • ≥99%
    CAS号 : 934240-31-0        Compound CID : 16046067
    分子式: C18H20ClFN2O2        分子量: 350.8
    IUPAC Name: (2S,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide;hydrochloride
    SMILES: C1CC(NC1C2=CC=C(C=C2)OCC3=CC=CC=C3F)C(=O)N.Cl
    InChIKey: HEPUBAGOKRIZEO-PPPUBMIESA-N
    InChI: InChI=1S/C18H19FN2O2.ClH/c19-15-4-2-1-3-13(15)11-23-14-7-5-12(6-8-14)16-9-10-17(21-16)18(20)22;/h1-8,16-17,21H,9-11H2,(H2,20,22);1H/t16-,17+;/m1./s1
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