Back to Search
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
Names and Synonyms:
Risedronate Sodium
Phosphonic acid, P,P′-[1-hydroxy-2-(3-pyridinyl)ethylidene]bis-, sodium salt (1:1)
Phosphonic acid, [1-hydroxy-2-(3-pyridinyl)ethylidene]bis-, monosodium salt
Risedronate sodium
Actonel
NE 58095
Risedronic acid monosodium salt
Sodium risedronate
3-Pyridyl-1-hydroxyethylidene-1,1-biphosphonic acid sodium salt
Gemfos
Fossical
Atelvia
Identifiers:
SMILES:
O=P(O)(O)C(O)(Cc1cccnc1)P(=O)(O)O.[Na]
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);
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 306.10 g/mol | CAS Common Chemistry |
| 306.103 g/mol | RDKit | |
| 305.99084423200003 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 62.73300000000003 | RDKit |
