小分子和化合物库

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显示第112个,产品总数51

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  1. 安替比林
    CAS号 : 60-80-0        Compound CID : 2206
    分子式: C11H12N2O        分子量: 188.23
    IUPAC Name: 1,5-dimethyl-2-phenylpyrazol-3-one
    SMILES: CC1=CC(=O)N(N1C)C2=CC=CC=C2
    InChIKey: VEQOALNAAJBPNY-UHFFFAOYSA-N
    InChI: InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
  2. 乙酰水杨酸(ASA)
    CAS号 : 50-78-2        Compound CID : 2244
    分子式: C9H8O4        分子量: 180.16
    IUPAC Name: 2-acetyloxybenzoic acid
    SMILES: CC(=O)OC1=CC=CC=C1C(=O)O
    InChIKey: BSYNRYMUTXBXSQ-UHFFFAOYSA-N
    InChI: InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
  3. 安替比林
      规格或纯度 :
    • ≥99%
    CAS号 : 60-80-0        Compound CID : 2206
    分子式: C11H12N2O        分子量: 188.23
    IUPAC Name: 1,5-dimethyl-2-phenylpyrazol-3-one
    SMILES: CC1=CC(=O)N(N1C)C2=CC=CC=C2
    InChIKey: VEQOALNAAJBPNY-UHFFFAOYSA-N
    InChI: InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
  4. 5-羟基色胺
    CAS号 : 50-67-9        Compound CID : 5202
    分子式: C10H12N2O        分子量: 176.22
    IUPAC Name: 3-(2-aminoethyl)-1H-indol-5-ol
    SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN
    InChIKey: QZAYGJVTTNCVMB-UHFFFAOYSA-N
    InChI: InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
  5. 羟布宗
    CAS号 : 129-20-4        Compound CID : 4641
    分子式: C19H20N2O3        分子量: 324.37
    IUPAC Name: 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione
    SMILES: CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3
    InChIKey: HFHZKZSRXITVMK-UHFFFAOYSA-N
    InChI: InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3
  6. 氟灭酸
    CAS号 : 530-78-9(DMSO)        Compound CID : 3371
    分子式: C14H10F3NO2        分子量: 281.23
    IUPAC Name: 2-[3-(trifluoromethyl)anilino]benzoic acid
    SMILES: C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)F
    InChIKey: LPEPZBJOKDYZAD-UHFFFAOYSA-N
    InChI: InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)
  7. 8-(Piperazin-1-yl)naphthalen-2-ol
    CAS号 : 189350-02-5        Compound CID : 44275750
    分子式: C14H16N2O        分子量: 228.29
    IUPAC Name: 8-piperazin-1-ylnaphthalen-2-ol
    SMILES: C1CN(CCN1)C2=CC=CC3=C2C=C(C=C3)O
    InChIKey: JHFGCEGHEXXYGB-UHFFFAOYSA-N
    InChI: InChI=1S/C14H16N2O/c17-12-5-4-11-2-1-3-14(13(11)10-12)16-8-6-15-7-9-16/h1-5,10,15,17H,6-9H2
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