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| CAS No.: | 7414-83-7 |
|---|---|
| Name: | (1-Hydroxyethane-1,1-diyl)diphosphonic acid disodium salt |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C2H6Na2O7P2 |
| Molecular Weight: | 293.956 |
| Synonyms: | Phosphonicacid, (1-hydroxyethylidene)bis-, disodium salt (9CI);1-Hydroxyethane-1,1-diphosphonicacid disodium salt;BA 49280E;Calcimux;Chelest PH 212;Didronel;Didronel R;Disodium (1-hydroxyethylidene)-1,1-bisphosphonate;Disodium 1-hydroxyethane-1-diphosphonate;Disodium 1-hydroxyethanediphosphonate;Disodium1-hydroxyethylidenediphosphonate;Disodium ethane-1-hydroxy-1,1-diphosphonic acid;Disodiumethane-1-hydroxy-1-diphosphonate;Disodiumethydronate;Etidron;Etidronate disodium;Etidronic aciddisodium salt;Fostex NZ 2;Ostedron;Sequion 10Na2;Sodiumethane-1-hydroxy-1,1-diphosphonate;Sodium ethidronate;Sodium ethydronate;TF 133B (chelating agent);Turpinal 2NZ;Xydifon;HEDP.Na2; |
| EINECS: | 231-025-7 |
| Melting Point: | > 300oC |
| Boiling Point: | 578.8 °C at 760 mmHg |
| Flash Point: | 303.8 °C |
| Solubility: | 26 mg/mL in water |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22 |
| Safety: | 36/37/39 |
| PSA: | 160.57000 |
| LogP: | -0.11580 |
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Specification
The Disodium etidronate, with the CAS registry number 7414-83-7 and EINECS registry number 231-025-7, has the systematic name of phosphonate, P,P'-(1-hydroxyethylidene)bis-, sodium salt (1:2). It is a kind of white crystalline solid, and belongs to the following product categories: Phosphonate antiscalant;Intermediates & Fine Chemicals;Pharmaceuticals. It is harmful if swallowed, and it should be stored at 2-8°C. What's more, the molecular formula of this chemical is C2H6Na2O7P2.
The physical properties of Disodium etidronate are as followings: (1)ACD/LogP: -3.54; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -8.11 ; (4)ACD/LogD (pH 7.4): -8.86; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 121.91 Å2; (13)Flash Point: 303.8 °CE; (14)nthalpy of Vaporization: 99.45 kJ/mol; (15)Boiling Point: 578.8 °C at 760 mmHg; (16)Vapour Pressure: 8.34E-16 mmHg at 25°C.
Preparation and uses of Disodium etidronate: Neutralize the Hydroxy ethylene phosphate with the sodium hydroxide solution, and then the product can be obtaind after spray drying. And it is usually used as a calcium regulator and bisphosphonate bone resorptive inhibitor.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[O-]P(=O)(O)C(O)(C)P([O-])(=O)O
(2)InChI: InChI=1/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
(3)InChIKey: GWBBVOVXJZATQQ-NUQVWONBAB
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LDLo | intravenous | 32mg/kg (32mg/kg) | CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION) CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Journal of Pharmaceutical Sciences. Vol. 73, Pg. 1097, 1984. |
| dog | LDLo | oral | 500mg/kg (500mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: ATAXIA GASTROINTESTINAL: NAUSEA OR VOMITING | Kiso to Rinsho. Clinical Report. Vol. 23, Pg. 1257, 1989. |
| mouse | LD50 | intraperitoneal | 250mg/kg (250mg/kg) | British UK Patent Application. Vol. #2096889, | |
| mouse | LD50 | intravenous | 49mg/kg (49mg/kg) | PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Kiso to Rinsho. Clinical Report. Vol. 23, Pg. 1251, 1989. |
| mouse | LD50 | oral | 1900mg/kg (1900mg/kg) | Drugs in Japan Vol. -, Pg. 221, 1995. | |
| mouse | LD50 | subcutaneous | 260mg/kg (260mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Kiso to Rinsho. Clinical Report. Vol. 23, Pg. 1251, 1989. |
| rabbit | LD50 | oral | 581mg/kg (581mg/kg) | GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" KIDNEY, URETER, AND BLADDER: INTERSTITIAL NEPHRITIS | Toxicology and Applied Pharmacology. Vol. 22, Pg. 661, 1972. |
| rat | LD50 | intravenous | 35mg/kg (35mg/kg) | British UK Patent Application. Vol. #2096889, | |
| rat | LD50 | oral | 1340mg/kg (1340mg/kg) | KIDNEY, URETER, AND BLADDER: CHANGES IN BOTH TUBULES AND GLOMERULI | Toxicology and Applied Pharmacology. Vol. 22, Pg. 661, 1972. |
| rat | LD50 | subcutaneous | 372mg/kg (372mg/kg) | SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Kiso to Rinsho. Clinical Report. Vol. 23, Pg. 1251, 1989. |
| women | TDLo | oral | 240mg/kg/26W- (240mg/kg) | SENSE ORGANS AND SPECIAL SENSES: CHANGE IN ACUITY: EAR SENSE ORGANS AND SPECIAL SENSES: TINNITUS: EAR | Postgraduate Medical Journal. Vol. 74, Pg. 363, 1998. |
| women | TDLo | oral | 240mg/kg/22W- (240mg/kg) | SENSE ORGANS AND SPECIAL SENSES: CHANGE IN ACUITY: EAR SENSE ORGANS AND SPECIAL SENSES: TINNITUS: EAR | Postgraduate Medical Journal. Vol. 74, Pg. 363, 1998. |
| women | TDLo | oral | 588mg/kg/28W- (588mg/kg) | MUSCULOSKELETAL: OSTEOMALACIA MUSCULOSKELETAL: OTHER CHANGES | Drug Safety. Vol. 7, Pg. 162, 1992. |