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  1. 牛蒡子苷元
    CAS号 : 7770-78-7        Compound CID : 64981
    分子式: C21H24O6        分子量: 372.41
    IUPAC Name: (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
    SMILES: COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)OC
    InChIKey: NQWVSMVXKMHKTF-JKSUJKDBSA-N
    InChI: InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1
  2. 牛蒡子苷元
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 7770-78-7        Compound CID : 64981
    分子式: C21H24O6        分子量: 372.41
    IUPAC Name: (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
    SMILES: COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)OC
    InChIKey: NQWVSMVXKMHKTF-JKSUJKDBSA-N
    InChI: InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1
  3. 兰索拉唑
    CAS号 : 103577-45-3        Compound CID : 3883
    分子式: C16H14F3N3O2S        分子量: 369.36
    IUPAC Name: 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole
    SMILES: CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F
    InChIKey: MJIHNNLFOKEZEW-UHFFFAOYSA-N
    InChI: InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
  4. 氯硝柳胺
    CAS号 : 50-65-7        Compound CID : 4477
    分子式: C13H8Cl2N2O4        分子量: 327.12
    IUPAC Name: 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
    SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O
    InChIKey: RJMUSRYZPJIFPJ-UHFFFAOYSA-N
    InChI: InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
  5. 氯硝柳胺
    CAS号 : 50-65-7        Compound CID : 4477
    分子式: C13H8Cl2N2O4        分子量: 327.12
    IUPAC Name: 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
    SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O
    InChIKey: RJMUSRYZPJIFPJ-UHFFFAOYSA-N
    InChI: InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
  6. 克立咪唑
    CAS号 : 442-52-4        Compound CID : 2782
    分子式: C19H20ClN3        分子量: 325.84
    IUPAC Name: 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
    SMILES: C1CCN(C1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl
    InChIKey: CJXAEXPPLWQRFR-UHFFFAOYSA-N
    InChI: InChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2
  7. 克霉唑
    CAS号 : 23593-75-1        Compound CID : 2812
    分子式: C22H17ClN2        分子量: 344.84
    IUPAC Name: 1-[(2-chlorophenyl)-diphenylmethyl]imidazole
    SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4
    InChIKey: VNFPBHJOKIVQEB-UHFFFAOYSA-N
    InChI: InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
  8. 氯雷他定
      规格或纯度 :
    • ≥98%
    CAS号 : 79794-75-5        Compound CID : 3957
    分子式: C22H23ClN2O2        分子量: 382.88
    IUPAC Name: ethyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate
    SMILES: CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1
    InChIKey: JCCNYMKQOSZNPW-UHFFFAOYSA-N
    InChI: InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
  9. 尼鲁胺
    CAS号 : 63612-50-0        Compound CID : 4493
    分子式: C12H10F3N3O4        分子量: 317.22
    IUPAC Name: 5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
    SMILES: CC1(C(=O)N(C(=O)N1)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C
    InChIKey: XWXYUMMDTVBTOU-UHFFFAOYSA-N
    InChI: InChI=1S/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20)
  10. 咪康唑
    CAS号 : 22916-47-8        Compound CID : 4189
    分子式: C18H14Cl4N2O        分子量: 416.14
    IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole
    SMILES: C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
    InChIKey: BYBLEWFAAKGYCD-UHFFFAOYSA-N
    InChI: InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2
  11. 奥昔康唑
      规格或纯度 :
    • ≥97%
    CAS号 : 64211-45-6        Compound CID : 5353853
    分子式: C18H13Cl4N3O        分子量: 429.14
    IUPAC Name: (Z)-1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine
    SMILES: C1=CC(=C(C=C1Cl)Cl)CON=C(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
    InChIKey: QRJJEGAJXVEBNE-HKOYGPOVSA-N
    InChI: InChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18+
  12. 益康唑
    CAS号 : 27220-47-9        Compound CID : 3198
    分子式: C18H15Cl3N2O        分子量: 381.68
    IUPAC Name: 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
    SMILES: C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
    InChIKey: LEZWWPYKPKIXLL-UHFFFAOYSA-N
    InChI: InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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