AHD
Summary
| Name: | 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE |
| Synonyms: | ALENDRONATE FOSAMAX (TM) |
| Formula: | C4 H9 N O7 P2 |
| Formal charge: | -4 |
| Formula weight: | 245.064 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4-amino-1-hydroxybutane-1,1-diyl)bis(phosphonate) |
| OpenEye OEToolkits | 1.7.2 | 4-azanyl-1,1-diphosphonato-butan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-]P([O-])(=O)C(O)(CCCN)P(=O)([O-])[O-] |
| InChI | InChI | 1.03 | InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)/p-4 |
| InChIKey | InChI | 1.03 | OGSPWJRAVKPPFI-UHFFFAOYSA-J |
| SMILES_CANONICAL | CACTVS | 3.370 | NCCCC(O)([P]([O-])([O-])=O)[P]([O-])([O-])=O |
| SMILES | CACTVS | 3.370 | NCCCC(O)([P]([O-])([O-])=O)[P]([O-])([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN |
| SMILES | OpenEye OEToolkits | 1.7.2 | C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN |
