小分子和化合物库

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6 项目

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  1. 阿立哌唑
    CAS号 : 129722-12-9        Compound CID : 60795
    分子式: C23H27Cl2N3O2        分子量: 448.39
    IUPAC Name: 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
    SMILES: C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl
    InChIKey: CEUORZQYGODEFX-UHFFFAOYSA-N
    InChI: InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
  2. 奥氮平
    CAS号 : 132539-06-1        Compound CID : 135398745
    分子式: C17H20N4S        分子量: 312.43
    IUPAC Name: 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
    SMILES: CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C
    InChIKey: KVWDHTXUZHCGIO-UHFFFAOYSA-N
    InChI: InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
  3. 酮替芬延胡索酸
      规格或纯度 :
    • ≥99%
    CAS号 : 34580-14-8        Compound CID : 5282408
    分子式: C19H19NOS·C4H4O4        分子量: 425.5
    IUPAC Name: (E)-but-2-enedioic acid;2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
    SMILES: CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1.C(=CC(=O)O)C(=O)O
    InChIKey: YNQQEYBLVYAWNX-WLHGVMLRSA-N
    InChI: InChI=1S/C19H19NOS.C4H4O4/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19;5-3(6)1-2-4(7)8/h2-5,8,11H,6-7,9-10,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
  4. (S)-(+)-马来酸二甲茚
    CAS号 : 121367-05-3        Compound CID : 6604866
    分子式: C₂₀H₂₄N₂・C4H4O₄        分子量: 408.5
    IUPAC Name: N,N-dimethyl-2-[3-[(1S)-1-pyridin-2-ylethyl]-1H-inden-2-yl]ethanamine
    SMILES: CC(C1=CC=CC=N1)C2=C(CC3=CC=CC=C32)CCN(C)C
    InChIKey: MVMQESMQSYOVGV-OAHLLOKOSA-N
    InChI: InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3/t15-/m1/s1
  5. 依巴斯汀
      规格或纯度 :
    • ≥99%
    CAS号 : 90729-43-4        Compound CID : 3191
    分子式: C32H39NO2        分子量: 469.66
    IUPAC Name: 4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one
    SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4
    InChIKey: MJJALKDDGIKVBE-UHFFFAOYSA-N
    InChI: InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3
  6. Mepazine
    CAS号 : 60-89-9       
    分子式: C19H22N2S        分子量: 310.46
    IUPAC Name: 10-[(1-methylpiperidin-3-yl)methyl]phenothiazine
    SMILES: CN1CCCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42
    InChIKey: CBHCDHNUZWWAPP-UHFFFAOYSA-N
    InChI: InChI=1S/C19H22N2S/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21/h2-5,8-11,15H,6-7,12-14H2,1H3
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