小分子和化合物库

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显示第112个,产品总数34

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  1. 盐酸法屈唑 半水合物
      规格或纯度 :
    • ≥98%(HPLC)(T)
    CAS号 : 176702-70-8        Compound CID : 11954367
    分子式: C₁₄H₁₃N₃•HCl•1/2H₂O        分子量: 268.75
    IUPAC Name: 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile;hydrate;dihydrochloride
    SMILES: C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N.C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N.O.Cl.Cl
    InChIKey: RBNOZCGLHXZRLF-UHFFFAOYSA-N
    InChI: InChI=1S/2C14H13N3.2ClH.H2O/c2*15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14;;;/h2*4-7,9-10,14H,1-3H2;2*1H;1H2
  2. 1-油酰基-2-羟基-sn-甘油-3-磷酸-(1'-rac-甘油)(钠盐)
      规格或纯度 :
    • ≥99%(LPG)
    • may contain up to 10% of the 2-LPG isomer
    CAS号 : 326495-24-3        Compound CID : 131877805
    分子式: C24H46O9PNa        分子量: 532.58
    SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)O.[Na]
    InChIKey: OGNWFUWCKLVNBU-AXFOVFEGSA-N
    InChI: InChI=1S/C24H47O9P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)31-19-23(27)21-33-34(29,30)32-20-22(26)18-25;/h9-10,22-23,25-27H,2-8,11-21H2,1H3,(H,29,30);/b10-9-;/t22?,23-;/m1./s1
  3. 桂利嗪
    CAS号 : 298-57-7        Compound CID : 1547484
    分子式: C26H28N2        分子量: 368.51
    IUPAC Name: 1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine
    SMILES: C1CN(CCN1CC=CC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4
    InChIKey: DERZBLKQOCDDDZ-JLHYYAGUSA-N
    InChI: InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+
  4. 2,4-二氯-5-磺酰胺基苯甲酸
      规格或纯度 :
    • ≥98%(HPLC)(T)
    CAS号 : 2736-23-4        Compound CID : 17655
    分子式: C7H5Cl2NO4S        分子量: 270.09
    IUPAC Name: 2,4-dichloro-5-sulfamoylbenzoic acid
    SMILES: C1=C(C(=CC(=C1S(=O)(=O)N)Cl)Cl)C(=O)O
    InChIKey: ZSHHRBYVHTVRFK-UHFFFAOYSA-N
    InChI: InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
  5. 阿利马嗪酒石酸盐
      规格或纯度 :
    • ≥98%(HPLC)(T)
    CAS号 : 4330-99-8        Compound CID : 441236
    分子式: C36H44N4S2·C4H6O6        分子量: 746.98
    IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
    SMILES: CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.C(C(C(=O)O)O)(C(=O)O)O
    InChIKey: AJZJIYUOOJLBAU-CEAXSRTFSA-N
    InChI: InChI=1S/2C18H22N2S.C4H6O6/c2*1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20;5-1(3(7)8)2(6)4(9)10/h2*4-11,14H,12-13H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1
  6. 7-(2-氯乙基)茶碱
      规格或纯度 :
    • ≥98%(HPLC)(T)
    CAS号 : 5878-61-5        Compound CID : 1882
    分子式: C9H11ClN4O2        分子量: 242.66
    IUPAC Name: 7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione
    SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl
    InChIKey: QCIARNIKNKKHFH-UHFFFAOYSA-N
    InChI: InChI=1S/C9H11ClN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3
  7. 1,1'-二庚基-4,4'-二吡啶鎓二溴化物 [用于电致变色材料]
      规格或纯度 :
    • ≥98%(HPLC)(T)
    CAS号 : 6159-05-3       
    分子式: C24H38Br2N2        分子量: 514.39
    IUPAC Name: 1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium;dibromide
    SMILES: CCCCCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCCCC.[Br-].[Br-]
    InChIKey: VRXAJMCFEOESJO-UHFFFAOYSA-L
    InChI: InChI=1S/C24H38N2.2BrH/c1-3-5-7-9-11-17-25-19-13-23(14-20-25)24-15-21-26(22-16-24)18-12-10-8-6-4-2;;/h13-16,19-22H,3-12,17-18H2,1-2H3;2*1H/q+2;;/p-2
  8. 2'-脱氧腺苷(无水)
    CAS号 : 958-09-8        Compound CID : 13730
    分子式: C10H13N5O3        分子量: 251.25
    IUPAC Name: (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
    SMILES: C1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)O
    InChIKey: OLXZPDWKRNYJJZ-RRKCRQDMSA-N
    InChI: InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1
  9. 脱羧氯雷他定
    CAS号 : 100643-71-8        Compound CID : 124087
    分子式: C19H19ClN2        分子量: 310.83
    IUPAC Name: 13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
    SMILES: C1CC2=C(C=CC(=C2)Cl)C(=C3CCNCC3)C4=C1C=CC=N4
    InChIKey: JAUOIFJMECXRGI-UHFFFAOYSA-N
    InChI: InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2
  10. 4-羟基间苯二甲酸
      规格或纯度 :
    • ≥98%(HPLC)(T)
    CAS号 : 636-46-4        Compound CID : 12490
    分子式: C8H6O5        分子量: 182.13
    IUPAC Name: 4-hydroxybenzene-1,3-dicarboxylic acid
    SMILES: C1=CC(=C(C=C1C(=O)O)C(=O)O)O
    InChIKey: BCEQKAQCUWUNML-UHFFFAOYSA-N
    InChI: InChI=1S/C8H6O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
  11. 3-羟基黄酮
      规格或纯度 :
    • ≥98%(HPLC)(T)
    CAS号 : 577-85-5        Compound CID : 11349
    分子式: C15H10O3        分子量: 238.24
    IUPAC Name: 3-hydroxy-2-phenylchromen-4-one
    SMILES: C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O
    InChIKey: HVQAJTFOCKOKIN-UHFFFAOYSA-N
    InChI: InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H
  12. 咪多卡二丙酸盐
      规格或纯度 :
    • ≥98%(HPLC)(T)
    CAS号 : 55750-06-6        Compound CID : 9983292
    分子式: C19H20N6O·2C3H6O2        分子量: 496.57
    IUPAC Name: 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;propanoic acid
    SMILES: CCC(=O)O.CCC(=O)O.C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)C4=NCCN4
    InChIKey: AFGQXWSHYUHHNV-UHFFFAOYSA-N
    InChI: InChI=1S/C19H20N6O.2C3H6O2/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18;2*1-2-3(4)5/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26);2*2H2,1H3,(H,4,5)
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