小分子和化合物库

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  1. 头孢磺吡苄钠盐 水合物
      规格或纯度 :
    • ≥95%(HPLC)(N)
    CAS号: 1426397-23-0        Compound CID : 134128779
    分子式: C₂₂H₁₉N₄NaO₈S₂•xH₂O        分子量: 554.52
    IUPAC Name: sodium;(6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfonatoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrate
    SMILES: C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)[O-])C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N.O.[Na+]
    InChIKey: XTRRFIYXAPRYES-NLFZDHTNSA-M
    InChI: 1S/C22H20N4O8S2.Na.H2O/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12;;/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34);;1H2/q;See more
  2. 1-十六进制-d₃₃-醇
      规格或纯度 :
    • ≥98 atom% D,≥99%
    CAS号: 284474-73-3
    分子式: CD3(CD2)14CD2OH        分子量: 275.64
    IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-tritriacontadeuteriohexadecan-1-ol
    SMILES: CCCCCCCCCCCCCCCCO
    InChIKey: BXWNKGSJHAJOGX-TUWMXWROSA-N
    InChI: 1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2
  3. 硬脂酸-d₃₅
      规格或纯度 :
    • ≥98 atom% D,≥99%
    CAS号: 17660-51-4        Compound CID : 12346575
    分子式: C18HD35O2        分子量: 319.69
    IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentatriacontadeuteriooctadecanoic acid
    SMILES: CCCCCCCCCCCCCCCCCC(=O)O
    InChIKey: QIQXTHQIDYTFRH-KNAXIHRDSA-N
    InChI: 1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2
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