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Etidronate Disodium
CAS: 7414-83-7 | C2H8Na2O7P2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7414-83-7
Molecular Formula:
C2H8Na2O7P2
Molecular Weight:
252.007 g/mol
Names and Synonyms:
Etidronate Disodium
Phosphonic acid, P,P′-(1-hydroxyethylidene)bis-, sodium salt (1:2)
Phosphonic acid, (1-hydroxyethylidene)di-, disodium salt
Phosphonic acid, (1-hydroxyethylidene)bis-, disodium salt
Sodium ethane-1-hydroxy-1,1-diphosphonate
Disodium etidronate
Sodium ethydronate
Disodium ethane-1-hydroxy-1,1-diphosphonic acid
Disodium 1-hydroxy-1,1-ethanediphosphonate
Sodium etidronate
Disodium 1-hydroxyethylidenediphosphonate
Disodium ethane-1-hydroxy-1,1-diphosphonate
Disodium (1-hydroxyethylidene)-1,1-diphosphonate
Disodium ethane-1-hydroxy-1-diphosphonate
Disodium 1-hydroxyethanediphosphonate
Disodium ethanol-1,1-diphosphonate
Disodium 1-hydroxyethane-1-diphosphonate
1-Hydroxyethane-1,1-diphosphonic acid disodium salt
Etidronate disodium
Sodium ethidronate
Disodium ethydronate
Disodium (1-hydroxyethylidene)-1,1-bisphosphonate
Didronel R
Sequion 10Na2
Didronel
Turpinal 2NZ
Ostedron
BA 49280E
Fostex NZ 2
Etidron
Calcimux
Etidronic acid disodium salt
Chelest PH 212
Xydifon
TF 133B
TF 133B (chelating agent)
Chelest PH 210
PH 212
Cublen K 2012
Disodium HEDP
Hydroxyethylidene diphosphonic acid disodium salt
Disodium hydroxy-[1-hydroxy-1-(hydroxy-oxidophosphoryl)ethyl]phosphinate
Disodium hydroxyethylidene diphosphonate
Identifiers:
SMILES:
CC(O)(P(=O)(O)O)P(=O)(O)O.[Na].[Na]
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);;
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 252.007 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 251.954064416 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 13 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 5 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 135.29000000000002 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.7538000000000005 | RDKit |
| molecular_mass | 252.01 g/mol | Legacy Database |
| cas-canonical-smile | [Na].O=P(O)(O)C(O)(C)P(=O)(O)O None | Legacy Database |
| cas-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);; None | Legacy Database |
| cas-inchi-key | InChIKey=FCBYKAIUKRZZGW-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Etidronate disodium None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 46.22000000000002 | RDKit |
