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. 1α,25-二羟基维生素 D₃ (6,19,19-d₃)
      规格或纯度 :
    • ≥97 atom% D,≥96%
    CAS号: 128723-16-0
    分子式: C27H44O3        分子量: 419.65
    IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexane-1,3-diol
    SMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
    InChIKey: GMRQFYUYWCNGIN-POLIPXRRSA-N
    InChI: 1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1/i2D2,1See more
  4. 1α,25-二羟基维生素D₃(6,19,19-d₃)溶液
      规格或纯度 :
    • ≥97 atom% D,≥96%
    • 50μg/mL in ethanol
    CAS号: 128723-16-0
    分子式: C27H44O3        分子量: 419.65
    IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexane-1,3-diol
    SMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
    InChIKey: GMRQFYUYWCNGIN-POLIPXRRSA-N
    InChI: 1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1/i2D2,1See more
  5. 1α,25-二羟基维生素D₃(6,19,19-d₃)溶液
      规格或纯度 :
    • ≥97 atom% D,≥96%
    • 100μg/mL in ethanol
    CAS号: 128723-16-0
    分子式: C27H44O3        分子量: 419.65
    IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexane-1,3-diol
    SMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
    InChIKey: GMRQFYUYWCNGIN-POLIPXRRSA-N
    InChI: 1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1/i2D2,1See more
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