小分子和化合物库

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5 项目

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  1. 厄贝沙坦-d7
      规格或纯度 :
    • ≥98 atom% D,≥96%
    CAS号 : 1329496-43-6        Compound CID : 71749528
    分子式: C25H21D7N6O        分子量: 435.57
    IUPAC Name: 2-(2,2,3,3,4,4,4-heptadeuteriobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one
    SMILES: CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
    InChIKey: YOSHYTLCDANDAN-NCKGIQLSSA-N
    InChI: InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)/i1D3,2D2,3D2
  2. 草酸 二水合物
      规格或纯度 :
    • ≥99.998% metals basis
    CAS号 : 6153-56-6       
    分子式: C2H2O4·2H2O        分子量: 126.07
    IUPAC Name: oxalic acid;dihydrate
    SMILES: C(=O)(C(=O)O)O.O.O
    InChIKey: GEVPUGOOGXGPIO-UHFFFAOYSA-N
    InChI: InChI=1S/C2H2O4.2H2O/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);2*1H2
  3. 孕酮-d9
      规格或纯度 :
    • ≥98 atom% D,≥96%
    CAS号 : 15775-74-3        Compound CID : 71309321
    分子式: C21H21D9O2        分子量: 323.52
    IUPAC Name: (8S,9S,10R,13S,14S,17S)-2,2,4,6,6,17-hexadeuterio-10,13-dimethyl-17-(2,2,2-trideuterioacetyl)-7,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
    SMILES: CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
    InChIKey: RJKFOVLPORLFTN-PQIPVKAESA-N
    InChI: InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1/i1D3,4D2,8D2,12D,17D
  4. 吡哆醇-(甲基-d₃)盐酸盐
      规格或纯度 :
    • ≥98 atom% D,≥96%
    CAS号 : 1189921-12-7        Compound CID : 46782823
    分子式: C8H12ClNO3        分子量: 208.66
    IUPAC Name: 4,5-bis(hydroxymethyl)-2-(trideuteriomethyl)pyridin-3-ol;hydrochloride
    SMILES: CC1=NC=C(C(=C1O)CO)CO.Cl
    InChIKey: ZUFQODAHGAHPFQ-NIIDSAIPSA-N
    InChI: InChI=1S/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H/i1D3;
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