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6 项目

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  1. 唑来膦酸
    CAS号 : 118072-93-8        Compound CID : 68740
    分子式: C5H10N2O7P2        分子量: 272.09
    IUPAC Name: (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid
    SMILES: C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O
    InChIKey: XRASPMIURGNCCH-UHFFFAOYSA-N
    InChI: InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
  2. 伊班膦酸
    CAS号 : 114084-78-5        Compound CID : 60852
    分子式: C9H23NO7P2        分子量: 319.23
    IUPAC Name: [1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid
    SMILES: CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
    InChIKey: MPBVHIBUJCELCL-UHFFFAOYSA-N
    InChI: InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)
  3. 帕米膦酸
    CAS号 : 40391-99-9        Compound CID : 4674
    分子式: C3H11NO7P2        分子量: 235.07
    IUPAC Name: (3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid
    SMILES: C(CN)C(O)(P(=O)(O)O)P(=O)(O)O
    InChIKey: WRUUGTRCQOWXEG-UHFFFAOYSA-N
    InChI: InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)
  4. 孟鲁司特
    CAS号 : 158966-92-8        Compound CID : 5281040
    分子式: C35H36ClNO3S        分子量: 586.18
    IUPAC Name: 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
    SMILES: CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O
    InChIKey: UCHDWCPVSPXUMX-TZIWLTJVSA-N
    InChI: InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1
  5. 孟鲁司特
    CAS号 : 158966-92-8        Compound CID : 5281040
    分子式: C35H36ClNO3S        分子量: 586.18
    IUPAC Name: 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
    SMILES: CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O
    InChIKey: UCHDWCPVSPXUMX-TZIWLTJVSA-N
    InChI: InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1
  6. Zoledronic Acid
    CAS号 : 118072-93-8        Compound CID : 68740
    分子式: C5H10N2O7P2        分子量: 272.09
    IUPAC Name: (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid
    SMILES: C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O
    InChIKey: XRASPMIURGNCCH-UHFFFAOYSA-N
    InChI: InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
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