小分子和化合物库

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  1. rel-盐酸帕罗西汀-d4
      规格或纯度 :
    • ≥97%,≥98 atom% D
    CAS号: 1217683-35-6        Compound CID : 76973866
    分子式: C19H17D4ClFNO3        分子量: 369.85
    IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(2,3,5,6-tetradeuterio-4-fluorophenyl)piperidine;hydrochloride
    SMILES: FC(C([2H])=C1[2H])=C([2H])C([2H])=C1[C@H]2[C@H](COC3=CC=C(OCO4)C4=C3)CNCC2.Cl
    InChIKey: GELRVIPPMNMYGS-TYPQLLAASA-N
    InChI: 1S/C19H20FNO3.ClH/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;/h1-6,9,14,17,21H,7-8,10-12H2;1H/t14-,17-;/m0./s1/i1D,2D,3D,4D;
  2. 罗苏伐他汀-d3钠盐
      规格或纯度 :
    • ≥97%,≥98 atom% D
    CAS号: 1279031-70-7        Compound CID : 45359102
    分子式: C22H24D3FN3O6S・Na        分子量: 506.54
    IUPAC Name: sodium;(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methylsulfonyl(trideuteriomethyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
    SMILES: CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.[Na+]
    InChIKey: RGEBGDYYHAFODH-SYRJKFITSA-M
    InChI: 1S/C22H28FN3O6S.Na/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32;/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30);/q;+1/p-1/b10-9+;/t16-,17-;/m1./s1/i3See more
  3. MC 1046
      规格或纯度 :
    • ≥91%
    CAS号: 126860-83-1        Compound CID : 9547342
    分子式: C27H38O3        分子量: 410.59
    IUPAC Name: (E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-cyclopropylpent-2-en-1-one
    SMILES: CC(C=CC(=O)C1CC1)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C
    InChIKey: KKDBQSPKXAUHPH-NRCQPIEOSA-N
    InChI: 1S/C27H38O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-24,26,28,30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23See more
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