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Molecule
Etidronate Disodium
CAS: 7414-83-7 · C2H8Na2O7P2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7414-83-7
- Molecular Formula
- C2H8Na2O7P2
- Molecular Mass
- 252.01 g/mol
Identifiers
CAS Registry Number
7414-83-7
SMILES
CC(O)(P(=O)(O)O)P(=O)(O)O.[Na].[Na]
InChI Key
FCBYKAIUKRZZGW-UHFFFAOYSA-N
InChI
InChI=1S/C2H8O7P2.2Na/c1-2(3,10(4,5)6)11(7,8)9;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;
Names and Synonyms
- Etidronate Disodium Synonym
- Phosphonic acid, P,P′-(1-hydroxyethylidene)bis-, sodium salt (1:2) Synonym
- Phosphonic acid, (1-hydroxyethylidene)di-, disodium salt Synonym
- Phosphonic acid, (1-hydroxyethylidene)bis-, disodium salt Synonym
- Sodium ethane-1-hydroxy-1,1-diphosphonate Synonym
- Disodium etidronate Synonym
- Sodium ethydronate Synonym
- Disodium ethane-1-hydroxy-1,1-diphosphonic acid Synonym
- Disodium 1-hydroxy-1,1-ethanediphosphonate Synonym
- Sodium etidronate Synonym
- Disodium 1-hydroxyethylidenediphosphonate Synonym
- Disodium ethane-1-hydroxy-1,1-diphosphonate Synonym
- Disodium (1-hydroxyethylidene)-1,1-diphosphonate Synonym
- Disodium ethane-1-hydroxy-1-diphosphonate Synonym
- Disodium 1-hydroxyethanediphosphonate Synonym
- Disodium ethanol-1,1-diphosphonate Synonym
- Disodium 1-hydroxyethane-1-diphosphonate Synonym
- 1-Hydroxyethane-1,1-diphosphonic acid disodium salt Synonym
- Etidronate disodium Synonym
- Sodium ethidronate Synonym
- Disodium ethydronate Synonym
- Disodium (1-hydroxyethylidene)-1,1-bisphosphonate Synonym
- Didronel R Synonym
- Sequion 10Na2 Synonym
- Didronel Synonym
- Turpinal 2NZ Synonym
- Ostedron Synonym
- BA 49280E Synonym
- Fostex NZ 2 Synonym
- Etidron Synonym
- Calcimux Synonym
- Etidronic acid disodium salt Synonym
- Chelest PH 212 Synonym
- Xydifon Synonym
- TF 133B Synonym
- TF 133B (chelating agent) Synonym
- Chelest PH 210 Synonym
- PH 212 Synonym
- Cublen K 2012 Synonym
- Disodium HEDP Synonym
- Hydroxyethylidene diphosphonic acid disodium salt Synonym
- Disodium hydroxy-[1-hydroxy-1-(hydroxy-oxidophosphoryl)ethyl]phosphinate Synonym
- Disodium hydroxyethylidene diphosphonate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 252.01 g/mol | CAS Common Chemistry |
| 252.007 g/mol | RDKit | |
| 254.023 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=P(O)(O)C(O)(C)P(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/C2H8O7P2.2Na/c1-2(3,10(4,5)6)11(7,8)9;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);; | CAS Common Chemistry |
| InChI Key | InChIKey=FCBYKAIUKRZZGW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Etidronate disodium | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 135.29000000000002 Ų | RDKit |
| 135.29 Ų | RDKit | |
| LogP | -1.7538000000000005 | RDKit |
| -1.7538 | RDKit | |
| Molar Refractivity | 46.22000000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 251.954064416 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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40
20
0 ppm
| 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 = 252.01 g/mol. Edit any field — others recompute live.
