Marvin  09180814472D          

 16 16  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674   -0.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.2695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6674   -0.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  5 14  1  0  0  0  0
  6 15  2  0  0  0  0
  2 16  1  0  0  0  0
M  END
> <ID>
CHEBI:46557

> <NAME>
zoledronic acid

> <DEFINITION>
An imidazole compound having a 2,2-bis(phosphono)-2-hydroxyethane-1-yl substituent at the 1-position.

> <STAR>
3

> <SYNONYM>
ZOLEDRONIC ACID; ZOL; (1-hydroxy-2-imidazol-1-ylethylidene)diphosphonic acid; (1-hydroxy-2-(1H-imidazol-1-yl)ethylidene)bisphosphonic acid

> <IUPAC_NAME>
[1-hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyl]bis(phosphonic acid)

> <INN>
zoledronic acid

> <BRAND_NAME>
Reclast

> <FORMULA>
C5H10N2O7P2

> <MASS>
272.08970

> <MONOISOTOPIC_MASS>
271.99632

> <CHARGE>
0

> <SMILES>
OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O

> <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)

> <INCHIKEY>
XRASPMIURGNCCH-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
9205049

> <CAS_REGISTRY_NUMBER>
118072-93-8

> <GMELIN_REGISTRY_NUMBER>
2609374

> <CHEMIDPLUS>
118072-93-8

> <DRUGBANK_ACCESSION>
DB00399

> <KEGG_DRUG_ACCESSION>
D08689

> <PDBECHEM_ACCESSION>
ZOL

> <WIKIPEDIA_ACCESSION>
Zoledronic_acid

> <PUBMED_CENTRAL_CITATION>
PMC8090009

> <PUBMED_CITATION>
12183663; 15161327; 15324309; 16414486; 17691952; 18982915; 19751105; 33908127; 33984339; 34081204; 34157824; 34324430; 34341833; 34393156; 34413050; 34435997; 34447747; 34475752; 34560734; 34585443

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