小分子和化合物库

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5 项目

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  1. 邻苯二甲酸单环己酯-d4
      规格或纯度 :
    • ≥99 atom% D,≥98%
    CAS号 : 1398066-18-6        Compound CID : 131698665
    分子式: C14H12D4O4        分子量: 252.3
    IUPAC Name: 2-cyclohexyloxycarbonyl-3,4,5,6-tetradeuteriobenzoate
    SMILES: C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)[O-]
    InChIKey: PMDKYLLIOLFQPO-DOGSKSIHSA-M
    InChI: InChI=1S/C14H16O4/c15-13(16)11-8-4-5-9-12(11)14(17)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,15,16)/p-1/i4D,5D,8D,9D
  2. 盐酸阿米替林-d6
      规格或纯度 :
    • ≥99 atom% D,≥98%
    CAS号 : 203645-63-0        Compound CID : 76974221
    分子式: C20H18D6ClN        分子量: 319.90
    IUPAC Name: 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride
    SMILES: CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.Cl
    InChIKey: KFYRPLNVJVHZGT-TXHXQZCNSA-N
    InChI: InChI=1S/C20H23N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-12H,7,13-15H2,1-2H3;1H/i1D3,2D3;
  3. 2-酮基-3-(甲基-d₃)-丁酸 acid-1,2,3,4-¹³C₄ 钠盐
      规格或纯度 :
    • ≥98 atom% D,≥99 atom% 13C
    CAS号 : 1215605-14-3       
    分子式: 13CH313CH(CD3)13CO13CO2Na        分子量: 145.09
    SMILES: [Na+].[2H]C([2H])([2H])[13CH]([13CH3])[13C](=O)[13C]([O-])=O
    InChIKey: WIQBZDCJCRFGKA-SSBGHZRHSA-M
    InChI: 1S/C5H8O3.Na/c1-3(2)4(6)5(7)8;/h3H,1-2H3,(H,7,8);/q;+1/p-1/i1D3,2+1,3+1,4+1,5+1;
  4. 7-脱氢胆固醇-25,26,26,26,27,27,27-d₇
      规格或纯度 :
    • ≥99 atom% D,≥98%
    CAS号 : 388622-58-0        Compound CID : 70699278
    分子式: C27H37D7O        分子量: 391.68
    IUPAC Name: (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
    SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C
    InChIKey: UCTLRSWJYQTBFZ-UDEPUTHCSA-N
    InChI: InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1/i1D3,2D3,18D
  5. 雌酮-2,3,4-¹³C₃溶液
      规格或纯度 :
    • ≥99 atom% D,≥98%
    • 100μg/mL in methanol
    CAS号 : 1241684-29-6        Compound CID : 66995388
    分子式: C1513C3H22O2        分子量: 273.34
    IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
    SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O
    InChIKey: DNXHEGUUPJUMQT-JTCDCFKFSA-N
    InChI: InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i3+1,10+1,12+1
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