小分子和化合物库

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8 项目

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  1. 7-羟基氯丙嗪-d6盐酸盐
      规格或纯度 :
    • ≥98 atom% D,≥97%
    CAS号 : 2095-62-7(unlabeled free base)        Compound CID : 16414
    分子式: C17H13D6ClN2OS • HCl        分子量: 376.59
    IUPAC Name: 8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-3-ol
    SMILES: CN(C)CCCN1C2=C(C=C(C=C2)O)SC3=C1C=C(C=C3)Cl
    InChIKey: HICFFJZGXWEIHN-UHFFFAOYSA-N
    InChI: InChI=1S/C17H19ClN2OS/c1-19(2)8-3-9-20-14-6-5-13(21)11-17(14)22-16-7-4-12(18)10-15(16)20/h4-7,10-11,21H,3,8-9H2,1-2H3
  2. 正辛醛-d16
      规格或纯度 :
    • ≥98 atom% D,≥97%
    CAS号 : 1219794-66-7        Compound CID : 71751283
    分子式: C8D16O        分子量: 144.31
    IUPAC Name: 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecadeuteriooctan-1-one
    SMILES: CCCCCCCC=O
    InChIKey: NUJGJRNETVAIRJ-ZEFOBESCSA-N
    InChI: InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D
  3. 25-羟基维生素 D₃-26,26,26,27,27,27-d₆ 一水合物
      规格或纯度 :
    • ≥98 atom% D,≥97%
    CAS号 : 2483831-70-3       
    分子量: 424.69
    SMILES: C[C@]1(CCC/2)C(CCC1[C@H](C)CCCC(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])C2=C\\C=C(C[C@@H](O)CC3)/C3=C.[H]O[H]
    InChIKey: WRLFSJXJGJBFJQ-DZAJWRDGSA-N
    InChI: 1S/C27H44O2.H2O/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29;/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3;1H2/b21-11+,22-12-;/t20-,23+,24?,25?,27-;/m1./s1/i3D3,4D3;
  4. L-α-磷脂酰胆碱
      规格或纯度 :
    • ≥40%(enzymatic)
    • from dried egg yolk, Type X-E
    CAS号 : 8002-43-5       
    分子式: C42H80NO8P        分子量: 758.06
    IUPAC Name: [(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
    SMILES: [P](=O)([O-])(OC[C@H](OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCCCCCC)OCC[N+](C)(C)C
    InChIKey: JLPULHDHAOZNQI-ZTIMHPMXSA-N
    InChI: InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1
  5. 二十烷酸-d₃₉酸
      规格或纯度 :
    • ≥98 atom% D,≥97%
    CAS号 : 39756-32-6        Compound CID : 102044916
    分子式: CD3(CD2)18COOH        分子量: 351.77
    IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-nonatriacontadeuterioicosanoic acid
    SMILES: CCCCCCCCCCCCCCCCCCCC(=O)O
    InChIKey: VKOBVWXKNCXXDE-BKDZISOFSA-N
    InChI: InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2
  6. 生物素-(环-6,6-d₂)
      规格或纯度 :
    • ≥98 atom% D,≥97%
    CAS号 : 1217481-41-8        Compound CID : 253
    分子式: C10H16N2O3S        分子量: 244.31
    IUPAC Name: 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid
    SMILES: C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2
    InChIKey: YBJHBAHKTGYVGT-UHFFFAOYSA-N
    InChI: InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)
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