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. 4-羟基雌酮-d4
      规格或纯度 :
    • ≥95 atom% D,≥98%
    CAS号: 81586-98-3
    分子式: C18H18D4O3        分子量: 290.39
    IUPAC Name: (8R,9S,13S,14S)-1,2,16,16-tetradeuterio-3,4-dihydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
    SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4O)O
    InChIKey: XQZVQQZZOVBNLU-RFZGAVBWSA-N
    InChI: 1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1/i4D,6D,7D2
  4. 棕榈酸-d31
      规格或纯度 :
    • ≥95 atom% D,≥98%
    CAS号: 39756-30-4        EC号: 200-312-9 (unlabeled)
    分子式: C16D31HO2        分子量: 287.62
    IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoic acid
    SMILES: CCCCCCCCCCCCCCCC(=O)O
    InChIKey: IPCSVZSSVZVIGE-SAQPIRCFSA-N
    InChI: 1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2
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