ZOL
Summary
| Name: | ZOLEDRONIC ACID |
| Synonyms: | (1-HYDROXY-2-IMIDAZOL-1-YLETHYLIDENE)DIPHOSPHONIC ACID |
| Formula: | C5 H10 N2 O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 272.09 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [1-hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyl]bis(phosphonic acid) |
| OpenEye OEToolkits | 1.5.0 | (1-hydroxy-2-imidazol-1-yl-1-phosphono-ethyl)phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(Cn1ccnc1)([P](O)(O)=O)[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | OC(Cn1ccnc1)([P](O)(O)=O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | XRASPMIURGNCCH-UHFFFAOYSA-N |
