小分子和化合物库

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  1. 盐酸法屈唑 半水合物
      规格或纯度 :
    • ≥98%(HPLC)(T)
    CAS号: 176702-70-8        Compound CID : 11954367
    分子式: C₁₄H₁₃N₃•HCl•1/2H₂O        分子量: 268.75
    IUPAC Name: 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile;hydrate;dihydrochloride
    SMILES: C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N.C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N.O.Cl.Cl
    InChIKey: RBNOZCGLHXZRLF-UHFFFAOYSA-N
    InChI: 1S/2C14H13N3.2ClH.H2O/c2*15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14;;;/h2*4-7,9-10,14H,1-3H2;2*1H;1H2
  2. 菜油甾醇
      规格或纯度 :
    • ≥65%
    CAS号: 474-62-4        EC号: 207-484-4
    分子式: C28H48O        分子量: 400.68
    IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    SMILES: CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
    InChIKey: SGNBVLSWZMBQTH-PODYLUTMSA-N
    InChI: 1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
  3. 姜黄素
    CAS号: 458-37-7        EC号: 207-280-5
    分子式: C21H20O6        分子量: 368.38
    IUPAC Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
    SMILES: COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O
    InChIKey: VFLDPWHFBUODDF-FCXRPNKRSA-N
    InChI: 1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
  4. 阿利马嗪酒石酸盐
      规格或纯度 :
    • ≥98%(HPLC)(T)
    CAS号: 4330-99-8
    分子式: C36H44N4S2·C4H6O6        分子量: 746.98
    IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
    SMILES: CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.C(C(C(=O)O)O)(C(=O)O)O
    InChIKey: AJZJIYUOOJLBAU-CEAXSRTFSA-N
    InChI: 1S/2C18H22N2S.C4H6O6/c2*1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20;5-1(3(7)8)2(6)4(9)10/h2*4-11,14H,12-13H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1
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