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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.

External Resources

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

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