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. 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
  3. 枞酸乙酯
      规格或纯度 :
    • ≥80%(GC)
    CAS号: 631-71-0
    分子式: C22H34O2        分子量: 330.51
    IUPAC Name: ethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
    SMILES: CCOC(=O)C1(CCCC2(C1CC=C3C2CCC(=C3)C(C)C)C)C
    InChIKey: AGUBCDYYAKENKG-YVNJGZBMSA-N
    InChI: 1S/C22H34O2/c1-6-24-20(23)22(5)13-7-12-21(4)18-10-8-16(15(2)3)14-17(18)9-11-19(21)22/h9,14-15,18-19H,6-8,10-13H2,1-5H3/t18-,19+,21+,22+/m0/s1
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