小分子和化合物库

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显示第112个,产品总数119

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  1. 丹参素钠
    CAS号 : 67920-52-9        Compound CID : 23711819
    分子式: C9H9NaO5        分子量: 220.15
    IUPAC Name: sodium;3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate
    SMILES: C1=CC(=C(C=C1CC(C(=O)[O-])O)O)O.[Na+]
    InChIKey: ZMMKVDBZTXUHFO-UHFFFAOYSA-M
    InChI: InChI=1S/C9H10O5.Na/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14;/h1-3,8,10-12H,4H2,(H,13,14);/q;+1/p-1
  2. 去氢胆酸
      规格或纯度 :
    • ≥98.5%
    CAS号 : 81-23-2        Compound CID : 6674
    分子式: C24H34O5        分子量: 402.52
    IUPAC Name: (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
    SMILES: CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C
    InChIKey: OHXPGWPVLFPUSM-KLRNGDHRSA-N
    InChI: InChI=1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1
  3. 反丁烯二酸
      规格或纯度 :
    • ≥99.5%
    CAS号 : 110-17-8        Compound CID : 444972
    分子式: C4H4O4        分子量: 116.07
    IUPAC Name: (E)-but-2-enedioic acid
    SMILES: C(=CC(=O)O)C(=O)O
    InChIKey: VZCYOOQTPOCHFL-OWOJBTEDSA-N
    InChI: InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
  4. 硫酸阿托品一水合物
      规格或纯度 :
    • ≥98.5%
    CAS号 : 5908-99-6        Compound CID : 656678
    分子式: C34H46N2O6.H2SO4.H2O        分子量: 694.83
    IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate;sulfuric acid;hydrate
    SMILES: CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.O.OS(=O)(=O)O
    InChIKey: JPKKQJKQTPNWTR-BRYCGAMXSA-N
    InChI: InChI=1S/2C17H23NO3.H2O4S.H2O/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4;/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4);1H2/t2*13-,14+,15?,16?;;
  5. L-丙氨酸
    CAS号 : 56-41-7       
    分子式: C3H7NO2        分子量: 89.09
    IUPAC Name: (2S)-2-aminopropanoic acid
    SMILES: CC(C(=O)O)N
    InChIKey: QNAYBMKLOCPYGJ-REOHCLBHSA-N
    InChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
  6. 盐酸氨基脲
    CAS号 : 563-41-7        Compound CID : 11236
    分子式: CH6ClN3O        分子量: 111.53
    IUPAC Name: aminourea;hydrochloride
    SMILES: C(=O)(N)NN.Cl
    InChIKey: XHQYBDSXTDXSHY-UHFFFAOYSA-N
    InChI: InChI=1S/CH5N3O.ClH/c2-1(5)4-3;/h3H2,(H3,2,4,5);1H
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