CAS No.109552-15-0,Disodium pamidronate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	109552-15-0
Name:	Disodium pamidronate

Formula:	C₃H₉NNa₂O₇P₂·5H₂O
Molecular Weight:	369.11
Synonyms:	Phosphonic acid, (3-amino-1-hydroxypropylidene)bis-, disodium salt, pentahydrate;Pamidronate disodium pentahydrate;Disodium-3-amino-1-hydroxypropylidene-1,1-diphosphonate pentahydrate;
EINECS:	260-647-1
Melting Point:	300℃
Boiling Point:	658.7 °C at 760 mmHg
Flash Point:	352.2 °C
Appearance:	white to off-white crystalline powder
Hazard Symbols:	R22:;
Risk Codes:	Xn:Harmful; "> Xn:Harmful;
PSA:	232.74000
LogP:	-0.40810

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Specification

The Disodium pamidronate pentahydrate, with the CAS registry number 109552-15-0, is also known as Disodium-3-amino-1-hydroxypropylidene-1,1-diphosphonate pentahydrate. This chemical's molecular formula is C₃H₉NNa₂O₇P₂·5H₂O and molecular weight is 369.11. What's more, its systematic name is Sodium (3-amino-1-hydroxy-1,1-propanediyl)bis[hydrogen (phosphonate)] hydrate (2:1:5). Its classification codes are: (1)Bone resorption inhibitor; (2)Drug / Therapeutic Agent; (3)Human Data.

Physical properties of Disodium pamidronate pentahydrate are: (1)ACD/LogP: -3.403; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -7.17; (4)ACD/LogD (pH 7.4): -7.87; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 8; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 125.15 ?2; (13)Flash Point: 352.2 °C; (14)Enthalpy of Vaporization: 111 kJ/mol; (15)Boiling Point: 658.7 °C at 760 mmHg; (16)Vapour Pressure: 3.79E-20 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[O-]P(=O)(O)C(O)(CCN)P(=O)([O-])O.O.O.O.O.O
(2)Std. InChI: InChI=1S/C3H11NO7P2.2Na.5H2O/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);;;5*1H2/q;2*+1;;;;;/p-2
(3)Std. InChIKey: CZYWHNTUXNGDGR-UHFFFAOYSA-L

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
women	TDLo	intravenous	1200ug/kg (1.2mg/kg)	BEHAVIORAL: ATAXIA MUSCULOSKELETAL: OTHER CHANGES	Australian and New Zealand Journal of Medicine. Vol. 27, Pg. 719, 1997.
women	TDLo	intravenous	1200ug/kg (1.2mg/kg)	BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE WEAKNESS	Australian and New Zealand Journal of Medicine. Vol. 27, Pg. 719, 1997.