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57248-88-1

Basic Information
CAS No.: 57248-88-1
Name: Pamidronate disodium salt
Molecular Structure:
Molecular Structure of 57248-88-1 (Pamidronate disodium salt)
Formula: C3H9NNa2O7P2
Molecular Weight: 279.03
Synonyms: Phosphonicacid, (3-amino-1-hydroxypropylidene)bis-, disodium salt (9CI);3-Amino-1-hydroxypropane-1,1-diphosphonicacid disodium salt;APD;Aminomux;Aredia;CGP 23339A;CGP 23339AE;Disodium3-amino-1-hydroxypropane-1,1-diphosphonate;Pamidronic acid disodium salt;
EINECS: 260-647-1
Melting Point: 300 °C
Boiling Point: 658.7 °C at 760 mmHg
Flash Point: 352.2 °C
Solubility: 28 mg/mL in water
Appearance: White Crystals
Hazard Symbols: HarmfulXn
Risk Codes: 22-48-41-37/38-20/21/22
Safety: 22-26-36/37/39-45
PSA: 186.59000
LogP: -0.08660
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    Pamidronate disodium salt

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Chemistry

Molecular Structure of Pamidronate disodium salt (CAS NO.57248-88-1):

IUPAC Name: disodium [3-amino-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate 
Empirical Formula: C3H9NNa2O7P2
Molecular Weight: 279.0331
H bond acceptors: 8
H bond donors: 7
Freely Rotating Bonds: 6
Polar Surface Area: 125.15Å2
Flash Point: 352.2 °C
Enthalpy of Vaporization: 111 kJ/mol
Boiling Point: 658.7 °C at 760 mmHg
Vapour Pressure: 3.79E-20 mmHg at 25°C
Melting point: 300 °C
Storage temp: 2-8°C
Solubility H2O: 28 mg/mL
InChI
InChI=1/C3H11NO7P2.2Na/c4-2-1-3(5,12(6,7)8)13(9,10)11;;/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11);;/q;2*+1/p-2
Smiles
C(P(=O)([O-])O)(P(=O)([O-])O)(CCN)O.[Na+].[Na+]
EINECS: 260-647-1
Product Categories: Pharmaceutical material and intermeidates; Bone Resorption Inhibitor; All Inhibitors; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals; Phosphorylating and Phosphitylating Agents; API's

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 20mg/kg (20mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 36, Pg. 2408, 1994.
man TDLo oral 750ug/kg/5D-I (0.75mg/kg) SENSE ORGANS AND SPECIAL SENSES: VISUAL FIELD CHANGES: EYE

SENSE ORGANS AND SPECIAL SENSES: DIPLOPIA: EYE

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
Australian and New Zealand Journal of Medicine. Vol. 24, Pg. 320, 1994.
mouse LD50 intraperitoneal 190mg/kg (190mg/kg)   British UK Patent Application. Vol. #2096889,
mouse LD50 intravenous 45mg/kg (45mg/kg)   British UK Patent Application. Vol. #2096889,
mouse LD50 oral 625mg/kg (625mg/kg)   British UK Patent Application. Vol. #2096889,
rat LD50 intravenous 50mg/kg (50mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 36, Pg. 2408, 1994.
women TDLo intravenous 600ug/kg/6H-C (0.6mg/kg)   Lancet. Vol. 1, Pg. 622, 1987.
women TDLo intravenous 900ug/kg (0.9mg/kg) MUSCULOSKELETAL: JOINTS Annals of Pharmacotherpy. Vol. 31, Pg. 499, 1997.

Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 22-48-41-37/38-20/21/22
R22:Harmful if swallowed. 
R48:Danger of serious damage to health by prolonged exposure. 
R41:Risk of serious damage to the eyes. 
R37/38:Irritating to respiratory system and skin. 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 22-26-36/37/39-45
S22:Do not breathe dust. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
WGK Germany: 3
RTECS: SZ6525000

Specification

  Pamidronate disodium salt , with CAS number of 57248-88-1, can be called (3-Amino-1-hydroxypropylidene)diphosphonic acid disodium salt ; Aminohydroxypropylidene diphosphonate disodium salt ; Disodium 3-amino-1-hydroxypropane-1,1-diphosphonate ; Pamidronic acid disodium salt . It is a white solid, can be used as a bisphosphonate antiresorptive agent.resorption inhibitor.