小分子和化合物库

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  1. Nifursol-¹⁵N2,d2
      规格或纯度 :
    • ≥95 atom% 15N,≥95%
    CAS号: 1246833-64-6
    分子式: C12H5D2N3¹⁵N2O9        分子量: 369.21
    IUPAC Name: N-[(E)-(3,4-dideuterio-5-nitrofuran-2-yl)methylideneamino]-2-hydroxy-3,5-dinitro(15N)benzamide
    SMILES: C1=C(OC(=C1)[N+](=O)[O-])C=NNC(=O)C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O
    InChIKey: XXUXXCZCUGIGPP-QGMBFAGFSA-N
    InChI: 1S/C12H7N5O9/c18-11-8(3-6(15(20)21)4-9(11)16(22)23)12(19)14-13-5-7-1-2-10(26-7)17(24)25/h1-5,18H,(H,14,19)/b13-5+/i1D,2D,13+1,14+1
  2. 牛磺石胆酸-d5钠盐(主要)
      规格或纯度 :
    • ≥95%,≥95 atom% D
    • Deuterated from d0-d6
    CAS号: 1265476-97-8        Compound CID : 46782976
    分子式: C26H39D5NNaO5S        分子量: 510.72
    IUPAC Name: sodium;2-[[(4R)-4-[(3R,5R,8R,10S,13R,14S)-2,2,3,4,4-pentadeuterio-3-hydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate
    SMILES: CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C.[Na+]
    InChIKey: YAERYJYXPRIDTO-SDXLJUFPSA-M
    InChI: 1S/C26H45NO5S.Na/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3;/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32);/q;+1/p-1/t17-,18-,19-,20+,21?,22See more
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