小分子和化合物库

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  1. 美洛昔康-d3
    CAS号: 942047-63-4
    分子式: C14H10D3N3O4S2        分子量: 354.42
    IUPAC Name: 4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-2-(trideuteriomethyl)-1λ6,2-benzothiazine-3-carboxamide
    SMILES: CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O
    InChIKey: ZRVUJXDFFKFLMG-BMSJAHLVSA-N
    InChI: 1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)/i2D3
  2. 胆绿素
    CAS号: 114-25-0        EC号: 204-042-2
    分子式: C33H34N4O6        分子量: 582.65
    IUPAC Name: 3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-ylSee more
    SMILES: CC1=C(C(=CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)NC1=CC4=NC(=O)C(=C4C)C=C)CCC(=O)O
    InChIKey: RCNSAJSGRJSBKK-NSQVQWHSSA-N
    InChI: 1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,37,42)(H,38,39)See more
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