MDN
METHYLENEDIPHOSPHONIC ACID
| Created: | 2001-01-16 |
| Last modified: | 2011-06-04 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 15 |
| Chiral Atom Count | 0 |
| Bond Count | 14 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | METHYLENEDIPHOSPHONIC ACID |
| Systematic Name (OpenEye OEToolkits) | phosphonomethylphosphonic acid |
| Formula | C H6 O6 P2 |
| Molecular Weight | 176.002 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)CP(=O)(O)O |
| SMILES | CACTVS | 3.341 | O[P](O)(=O)C[P](O)(O)=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(P(=O)(O)O)P(=O)(O)O |
| Canonical SMILES | CACTVS | 3.341 | O[P](O)(=O)C[P](O)(O)=O |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C(P(=O)(O)O)P(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7) |
| InChIKey | InChI | 1.03 | MBKDYNNUVRNNRF-UHFFFAOYSA-N |
Drug Info: DrugBank
DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
| DrugBank ID | DB14078 |
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| Name | Medronic acid |
| Groups |
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| Synonyms |
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| Brand Names |
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| CAS number | 1984-15-2 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 16124 |
| ChEMBL | CHEMBL180570 |
| ChEBI | CHEBI:43945 |
| CCDC/CSD | MEYDPA, MEYDPA11 |
