小分子和化合物库

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  1. 灭菌唑
    CAS号: 131983-72-7        Compound CID : 6537961
    分子式: C17H20ClN3O        分子量: 317.81
    IUPAC Name: (5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
    SMILES: CC1(CCC(=CC2=CC=C(C=C2)Cl)C1(CN3C=NC=N3)O)C
    InChIKey: PPDBOQMNKNNODG-NTEUORMPSA-N
    InChI: 1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9+
  2. 2,4-二氯酯酸甲酯
      规格或纯度 :
    • ≥95%(LC/MS-UV)
    CAS号: 398118-62-2
    分子式: C18H16Cl2O8        分子量: 431.22
    IUPAC Name: methyl 3,5-dichloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate
    SMILES: CC1=C(C(=C(C(=C1Cl)OC2=C(C=C(C=C2OC)O)C(=O)OC)C(=O)OC)O)Cl
    InChIKey: UWTOESDPWKUNBD-UHFFFAOYSA-N
    InChI: 1S/C18H16Cl2O8/c1-7-12(19)14(22)11(18(24)27-4)16(13(7)20)28-15-9(17(23)26-3)5-8(21)6-10(15)25-2/h5-6,21-22H,1-4H3
  3. 3, 3'-二碘-L-甲状腺素-(苯氧基-¹³C₆) (T2) 盐酸盐
      规格或纯度 :
    • ≥99 atom% 13C,≥97%
    CAS号: 1217459-13-6
    分子式: C913C6H13I2NO4        分子量: 531.03
    IUPAC Name: (2S)-2-amino-3-[4-(4-hydroxy-3-iodo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)oxy-3-iodophenyl]propanoic acid
    SMILES: C1=CC(=C(C=C1CC(C(=O)O)N)I)OC2=CC(=C(C=C2)O)I
    InChIKey: CPCJBZABTUOGNM-USQDWSSZSA-N
    InChI: 1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)/t12-/m0/s1/i2+1,3+1,7+1,9+1,10+1,13+1
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