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Molecule
Risedronate Sodium
CAS: 115436-72-1 · C7H11NNaO7P2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 115436-72-1
- Molecular Formula
- C7H11NNaO7P2
- Molecular Mass
- 306.10 g/mol
Identifiers
CAS Registry Number
115436-72-1
SMILES
O=P(O)(O)C(O)(Cc1cccnc1)P(=O)(O)O.[Na]
InChI Key
JAROYDNJQWMRAM-UHFFFAOYSA-N
InChI
InChI=1S/C7H11NO7P2.Na/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6;/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15);
Names and Synonyms
- Risedronate Sodium Common Name
- Phosphonic acid, P,P′-[1-hydroxy-2-(3-pyridinyl)ethylidene]bis-, sodium salt (1:1) Synonym
- Phosphonic acid, [1-hydroxy-2-(3-pyridinyl)ethylidene]bis-, monosodium salt Synonym
- Risedronate sodium Synonym
- Actonel Synonym
- NE 58095 Synonym
- Risedronic acid monosodium salt Synonym
- Sodium risedronate Synonym
- 3-Pyridyl-1-hydroxyethylidene-1,1-biphosphonic acid sodium salt Synonym
- Gemfos Synonym
- Fossical Synonym
- Atelvia Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 306.10 g/mol | CAS Common Chemistry |
| 306.103 g/mol | RDKit | |
| 307.111 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=P(O)(O)C(O)(CC=1C=NC=CC1)P(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/C7H11NO7P2.Na/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6;/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15); | CAS Common Chemistry |
| InChI Key | InChIKey=JAROYDNJQWMRAM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Risedronate sodium | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 148.18 Ų | RDKit |
| LogP | -0.7552000000000002 | RDKit |
| -0.7552 | RDKit | |
| Molar Refractivity | 62.73300000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2857 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 305.99084423200003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 306.10 g/mol. Edit any field — others recompute live.
