Molecular Formula: C5H12N2O8P2;

Molecular Weight: 290.1;

Exact Mass: 271.99632;

Synonym: CGP42446; CGP42446A; ZOL446; CGP-42446; CGP-42446A; ZOL-446; CGP 42446; CGP 42446A; ZOL 446; Zoledronate, trade names: Zometa; Reclast.

IUPAC/Chemical Name: (1-hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyl)diphosphonic acid hydrate

InChi Key: FUXFIVRTGHOMSO-UHFFFAOYSA-N

InChi Code: InChI=1S/C5H10N2O7P2.H2O/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);1H2

SMILES Code: OC(P(O)(O)=O)(P(O)(O)=O)CN1C=CN=C1.[H]O[H]