210
Summary
| Name: | PAMIDRONATE |
| Synonyms: | (3-AMINO-1-HYDROXY-1-PHOSPHONO-PROPYL)PHOSPHONIC ACID |
| Formula: | C3 H11 N O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 235.069 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3-amino-1-hydroxypropane-1,1-diyl)bis(phosphonic acid) |
| OpenEye OEToolkits | 1.5.0 | (3-amino-1-hydroxy-1-phosphono-propyl)phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)C(O)(CCN)P(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | NCCC(O)([P](O)(O)=O)[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | NCCC(O)([P](O)(O)=O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CN)C(O)(P(=O)(O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CN)C(O)(P(=O)(O)O)P(=O)(O)O |
| InChI | InChI | 1.03 | 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) |
| InChIKey | InChI | 1.03 | WRUUGTRCQOWXEG-UHFFFAOYSA-N |
