Etidronate disodium
- Iupac Name：disodium;hydroxy-[1-hydroxy-1-[hydroxy(oxido)phosphoryl]ethyl]phosphinate
- CAS No.: 7414-83-7
- Molecular Weight：249.99
- Modify Date.: 2023-05-14 03:51
- Introduction: Agents in the first generation (e.g., etidronate disodium and tiludronate) that were dosed continuouslyproduced poorly mineralized bone, because there was no interval for appropriate bone mineralization tooccur. Subsequent studies that used a cyclic dosing schedule (400 mg/day for 2 weeks, followed by 2.5 monthsof calcium supplementation only) showed improvement in bone mineralization. Etidronate has beenapproved for treatment of Paget's disease of the bone but not for treatment of osteoporosis. Tiludronateis approximately 10-fold more potent than etidronate and, when given orally for 6 months (200, 400, or 800mg/day), increases BMD by 2%. No further bone loss was detected in patients 6 months after cessation oftherapy.
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1. Names and Identifiers
- 1.1 Name
- Etidronate disodium
- 1.2 Synonyms
(1-hydroxyéthane-1,1-diyl)bis[hydrogène (phosphonate)] de disodium (1-Hydroxyethylidene)diphosphonic acid, disodium salt 1-HYDROXYETHANE-1,1-DIPHOSPHONATE, DISODIUM SALT 1-Hydroxyethylidene-1,1-diphosphonic acid disodium salt 1-Hydroxyethylidone-1,1-diphosphonicaciddisodiumsalt 231-025-7 Didronel didronelr Dinatrium-(1-hydroxyethan-1,1-diyl)bis[hydrogen-(phosphonat)] Disodium (1-hydroxy-1,1-ethanediyl)bis[hydrogen (phosphonate)] Disodium (1-hydroxyethane-1,1-diyl)bis[hydrogen (phosphonate)] Disodium (1-hydroxyethylidene)diphosphonate Disodium 1-hydroxyethylidene phosphonate Disodium dihydrogen (1-hydroxyethylidene)bisphosphonate disodium etidronate Disodium Etidronate Hydrate disodium(1-hydroxyethylidene)diphosphonate disodium,hydroxy-[1-hydroxy-1-[hydroxy(oxido)phosphoryl]ethyl]phosphinate disodium1-hydroxyethylidenephosphonate disodiumdihydrogen(1-hydroxyethylidene)diphosphonate disodiumethanol-1,1-diphosphonate disodiumethydronate EINECS 231-025-7 MFCD00152567 Phosphonate, P,P'-(1-hydroxyethylidene)bis-, sodium salt (1:2) Phosphonic acid, (1-hydroxyethylidene)bis-, sodium salt (1:2) Sodium etidronate
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- 1.3 CAS No.
- 7414-83-7
- 1.4 CID
- 23894
- 1.5 EINECS(EC#)
- 231-025-7
- 1.6 Molecular Formula
- C2H6Na2O7P2 (isomer)
- 1.7 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);;/q;2*+1/p-2
- 1.8 InChIkey
- GWBBVOVXJZATQQ-UHFFFAOYSA-L
- 1.9 Canonical Smiles
- CC(O)(P(=O)(O)[O-])P(=O)(O)[O-].[Na+].[Na+]
- 1.10 Isomers Smiles
- CC(O)(P(=O)(O)[O-])P(=O)(O)[O-].[Na+].[Na+]
2. Properties
- 2.1 Melting point
- > 300 C
- 2.1 Boiling point
- 578.8 °C at 760 mmHg
- 2.1 Flash Point
- 303.8 °C
- 2.1 Precise Quality
- 249.93800
- 2.1 PSA
- 160.57000
- 2.1 logP
- -0.11580
- 2.1 Solubility
- H2O: 26?mg/mL
- 2.2 Appearance
- white crystalline powder
- 2.3 Storage
- Keep Cold.
- 2.4 Chemical Properties
- White Crystalline Solid
- 2.5 Color/Form
- white
- 2.6 Water Solubility
- H2O: 26?mg/mL | Soluble in water (26 mg/ml).
- 2.7 StorageTemp
- 2-8°C
3. Use and Manufacturing
- 3.1 Definition
- ChEBI: An organic sodium salt resulting from the replacement of two protons from etidronic acid (one from from each of the phosphonic acid groups) by sodium ions.
- 3.2 Usage
- Used as a calcium regulator. A bisphosphonate bone resorptive inhibitor
4. Safety and Handling
- 4.1 Symbol
- GHS07
- 4.1 Hazard Codes
- Xn
- 4.1 Signal Word
- Warning
- 4.1 Risk Statements
- R22
- 4.1 Safety Statements
- 36/37/39
- 4.1 Hazard Declaration
- H302
- 4.1 RIDADR
- 25kgs
- 4.1 Safety Profile
- Poison by intravenous and subcutaneous routes. Moderately toxic by ingestion. An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits toxic fumes of POx, and Na2O.
- 4.2 Caution Statement
- P301 + P312 + P330
- 4.2 WGK Germany
- 1
- 4.2 RTECS
- SZ8562240
- 4.2 Safety
- Hazard Codes:Xn
Risk Statements:22
22:Harmful if swallowed
WGK Germany:1
- 4.3 Specification
-
White Crystalline Solid
usageEng:Used as a calcium regulator. A bisphosphonate bone resorptive inhibitor
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Acute toxicity - Oral, Category 4
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Warning |
| Hazard statement(s) | H302 Harmful if swallowed |
| Precautionary statement(s) | |
| Prevention | P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. |
| Response | P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. |
| Storage | none |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
6. Other Information
- 6.0 Usage
- Etidronate disodium is used as a bisphosphonate bone resorption inhibitor. Etidronic acid is used as a calcium regulator. Etidronic acid is a bisphosphonate antiresorptive agent.
7. Computational chemical data
- Molecular Weight: 249.99g/mol
- Molecular Formula: C2H6Na2O7P2
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 249.93841509
- Monoisotopic Mass: 249.93841509
- Complexity: 206
- Rotatable Bond Count: 2
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Topological Polar Surface Area: 141
- Heavy Atom Count: 13
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 3
- CACTVS Substructure Key Fingerprint: AAADcYBAODMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGggACCAAAACAgAACAAAAAhAAQAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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