CAS No.129318-43-0,Alendronate sodium Suppliers

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Basic Information

Molecular Structure:
CAS No.:	129318-43-0
Name:	Alendronate sodium

Formula:	C₄H₁₃NO₇P₂.Na
Molecular Weight:	272.08
Synonyms:	4-Amino-1-hydroxy-1,1-butanediphosphonicacid monosodium salt;4-Amino-1-hydroxybutylidene-1,1-bisphosphonic acidmonosodium salt;Alend;Alendronate sodium;Phosphonicacid, (4-amino-1-hydroxybutylidene)bis-, monosodium salt (9CI);Alendronic acid monosodium salt;Bifosa;Bonalon;Eucalen;Fosalan;Fosamac;Fosamax;Indrol;MK 217;Mavil;Monosodium alendronate;NeoBon;Onclast;Osteovan;Sodium alendronate;Alenmax;
EINECS:	603-329-3
Melting Point:	119 °C
Boiling Point:	616.7oC at 760 mmHg
Flash Point:	326.7oC
PSA:	180.93000
LogP:	-0.46040

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Specification

The Phosphonic acid,P,P'-(4-amino-1-hydroxybutylidene)bis-, sodium salt (1:1) with CAS registry number of 129318-43-0 is also known as (4-Amino-1-hydroxybutylidene)bisphosphonic acid monosodium salt. The IUPAC name is Sodium (4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate. It belongs to product categories of Alendronate. In addition, the formula is C₄H₁₃NO₇P₂.Na and the molecular weight is 272.08.

Physical properties about Phosphonic acid,P,P'-(4-amino-1-hydroxybutylidene)bis-, sodium salt (1:1) are: (1)H-Bond Donor: 5; (2)H-Bond Acceptor: 8; (3)Rotatable Bond Count: 5; (4)Exact Mass: 270.998669; (5)MonoIsotopic Mass: 270.998669; (6)Topological Polar Surface Area: 164; (7)Heavy Atom Count: 15; (8)Complexity: 293; (9)Undefined Atom StereoCenter Count: 1; (10)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C(CC(O)(P(=O)(O)O)P(=O)(O)[O-])CN.[Na+]
2. InChI: InChI=1S/C4H13NO7P2.Na/c5-3-1-2-4(6,13(7,8)9)14(10,11)12;/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12);/q;+1/p-1
3. InChIKey: CAKRAHQRJGUPIG-UHFFFAOYSA-M

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD	oral	> 200mg/kg (200mg/kg)		International Journal of Clinical Practice, Supplement. Vol. 101, Pg. 3, 1999.
dog	LDLo	intravenous	10mg/kg (10mg/kg)	BEHAVIORAL: ATAXIA GASTROINTESTINAL: NAUSEA OR VOMITING	Kiso to Rinsho. Clinical Report. Vol. 28, Pg. 3229, 1994.
mouse	LD50	oral	966mg/kg (966mg/kg)		International Journal of Clinical Practice, Supplement. Vol. 101, Pg. 3, 1999.
rat	LD50	oral	552mg/kg (552mg/kg)	GASTROINTESTINAL: NECROTIC GHANGES	International Journal of Clinical Practice, Supplement. Vol. 101, Pg. 3, 1999.
rat	LDLo	intravenous	30mg/kg (30mg/kg)	SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH	Kiso to Rinsho. Clinical Report. Vol. 28, Pg. 3229, 1994.
women	TDLo	oral	700ug/kg/7D-I (0.7mg/kg)	GASTROINTESTINAL: CHANGE IN STRUCTURE OR FUNCTION OF ESOPHAGUS GASTROINTESTINAL: OTHER CHANGES	American Journal of Gastroenterology. Vol. 90, Pg. 1889, 1995.