小分子和化合物库

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显示第109120个,产品总数8,370

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  1. 地塞米松磷酸钠
    CAS号: 55203-24-2
    分子式: C22H28FNa2O8P        分子量: 516.4
    IUPAC Name: disodium;[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate
    SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+]
    InChIKey: PLCQGRYPOISRTQ-FCJDYXGNSA-L
    InChI: 1S/C22H30FO8P.2Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;2*+1/p-2/t12-,15+,1See more
  2. 吴茱萸碱
    CAS号: 518-17-2
    分子式: C19H17N3O        分子量: 303.36
    IUPAC Name: (1S)-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
    SMILES: CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
    InChIKey: TXDUTHBFYKGSAH-SFHVURJKSA-N
    InChI: 1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3/t18-/m0/s1
  3. E-64,半胱氨酸蛋白酶抑制剂
      规格或纯度 :
    • Moligand™
    • ≥99%
    • protease inhibitor
    CAS号: 66701-25-5
    分子式: C15H27N5O5        分子量: 357.41
    IUPAC Name: (2S,3S)-3-[[(2S)-1-[4-(diaminomethylideneamino)butylamino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
    SMILES: CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(O)=O)C(=O)NCCCCNC(N)=N
    InChIKey: LTLYEAJONXGNFG-DCAQKATOSA-N
    InChI: 1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1
  4. 盐酸克林霉素棕榈酸酯
      规格或纯度 :
    • ≥99%
    CAS号: 25507-04-4        Compound CID : 16052038
    分子式: C34H63ClN2O6S·HCl        分子量: 699.85
    IUPAC Name: [(2R,3R,4S,5R,6R)-6-[(1S,2S)-2-chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] hexadecanoate;hydrochloride
    SMILES: CCCCCCCCCCCCCCCC(=O)OC1C(C(C(OC1SC)C(C(C)Cl)NC(=O)C2CC(CN2C)CCC)O)O.Cl
    InChIKey: GTNDZRUWKHDICY-DJHAJVGHSA-N
    InChI: 1S/C34H63ClN2O6S.ClH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-27(38)42-32-30(40)29(39)31(43-34(32)44-5)28(24(3)35)36-33(41)26-22-25(20-7-2)23-37(26)4;/h24-26,28-32,34,39-40H,6-23H2,1-5H3,(H,36,41);1HSee more
  5. 爱拉斯汀
    CAS号: 571203-78-6
    分子式: C30H31ClN4O4        分子量: 547.04
    IUPAC Name: 2-[1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one
    SMILES: CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2C(C)N4CCN(CC4)C(=O)COC5=CC=C(C=C5)Cl
    InChIKey: BKQFRNYHFIQEKN-UHFFFAOYSA-N
    InChI: 1S/C30H31ClN4O4/c1-3-38-27-11-7-6-10-26(27)35-29(32-25-9-5-4-8-24(25)30(35)37)21(2)33-16-18-34(19-17-33)28(36)20-39-23-14-12-22(31)13-15-23/h4-15,21H,3,16-20H2,1-2H3
  6. 盐酸厄洛替尼 (OSI-744)
      规格或纯度 :
    • ≥99%
    CAS号: 183319-69-9        EC号: 620-491-0
    分子式: C22H23N3O4·HCl        分子量: 429.9
    IUPAC Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;hydrochloride
    SMILES: COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.Cl
    InChIKey: GTTBEUCJPZQMDZ-UHFFFAOYSA-N
    InChI: 1S/C22H23N3O4.ClH/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22;/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);1H
  7. 枸橼酸托法替尼 (CP-690550)
    CAS号: 540737-29-9
    分子式: C16H20N6O.C6H8O7        分子量: 504.49
    IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
    SMILES: CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
    InChIKey: SYIKUFDOYJFGBQ-YLAFAASESA-N
    InChI: 1S/C16H20N6O.C6H8O7/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/tSee more
  8. 盐酸依普拉酮
      规格或纯度 :
    • ≥99%
    CAS号: 10402-53-6        Compound CID : 73356
    分子式: C24H32N2O2·2HCl        分子量: 453.44
    IUPAC Name: 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one;dihydrochloride
    SMILES: CCOC(CN1CCN(CC1)CC(C)C(=O)C2=CC=CC=C2)C3=CC=CC=C3.Cl.Cl
    InChIKey: BPMQVOKMMQFZGV-UHFFFAOYSA-N
    InChI: 1S/C24H32N2O2.2ClH/c1-3-28-23(21-10-6-4-7-11-21)19-26-16-14-25(15-17-26)18-20(2)24(27)22-12-8-5-9-13-22;;/h4-13,20,23H,3,14-19H2,1-2H3;2*1H
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