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Etidronate disodium

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Etidronate disodium

EINECS 231-025-7
CAS No. 7414-83-7 Density N/A
PSA 160.57000 LogP -0.11580
Solubility 26 mg/mL in water Melting Point > 300oC
Formula C2H6Na2O7P2 Boiling Point 578.8 °C at 760 mmHg
Molecular Weight 293.956 Flash Point 303.8 °C
Transport Information N/A Appearance white crystalline powder
Safety 36/37/39 Risk Codes 22
Molecular Structure Molecular Structure of 7414-83-7 ((1-Hydroxyethane-1,1-diyl)diphosphonic acid disodium salt) Hazard Symbols HarmfulXn
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;

Article Data 6

Etidronate disodium Consensus Reports

Reported in EPA TSCA Inventory.

Etidronate disodium 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.
 

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