WHO基本药物配体

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5 项目

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  1. 氯丙嗪
    CAS号 : 50-53-3        Compound CID : 2726
    分子式: C17H19ClN2S        分子量: 318.9
    IUPAC Name: 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine
    SMILES: CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
    InChIKey: ZPEIMTDSQAKGNT-UHFFFAOYSA-N
    InChI: InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
  2. Fluphenazine
    CAS号 : 69-23-8        Compound CID : 3372
    分子式: C22H26F3N3OS        分子量: 437.53
    IUPAC Name: 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol
    SMILES: C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO
    InChIKey: PLDUPXSUYLZYBN-UHFFFAOYSA-N
    InChI: InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
  3. 木霉唑啉
    CAS号 : 526-36-3        Compound CID : 5709
    分子式: C16H24N2        分子量: 244.37
    IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole
    SMILES: CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C
    InChIKey: HUCJFAOMUPXHDK-UHFFFAOYSA-N
    InChI: InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)
  4. 阿米替林
    CAS号 : 50-48-6        Compound CID : 2160
    分子式: C20H23N        分子量: 277.41
    IUPAC Name: N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
    SMILES: CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31
    InChIKey: KRMDCWKBEZIMAB-UHFFFAOYSA-N
    InChI: InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
  5. 木霉唑啉
    CAS号 : 526-36-3        Compound CID : 5709
    分子式: C16H24N2        分子量: 244.37
    IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole
    SMILES: CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C
    InChIKey: HUCJFAOMUPXHDK-UHFFFAOYSA-N
    InChI: InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)
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