ChemicalBook--->CAS DataBase List--->40391-99-9

40391-99-9

40391-99-9 Structure

40391-99-9 Structure
IdentificationBack Directory
[Name]

Pamidronic acid
[CAS]

40391-99-9
[Synonyms]

DLV
AHPrBP
Panolin
Rescriptor
amidronate
Pamidronicaci
PAMIDRONIC ACID
Iflab-bb F1977-0047
Delavirdine mesylate
Ibandronate Impurity 23
Pamidronic acid-d3 major
Pamidronic acid USP/EP/BP
PAMIDRONIC ACID SODIUM SALT
3-AMINO-1-HYDROXY-1,1-PROPANEDIPHOSPHONIC ACID
3-Amino-1-hydroxypropane-1,1-diphosphonic acid
1-Hydroxy-3-aminopropylidenebisphosphonic acid
Propane-1-hydroxy-3-amino-1,1-diphosphonic acid
(3-Amino-1-hydroxypropylidene)diphosphonic acid
(3-amino-1-hydroxypropylidene)bisphosphonic acid
1-Hydroxy-3-aminopropylidenebis(phosphonic acid)
PaMidronic acid(Delavirdine Mesylate,Rescriptor)
(3-Amino-1-hydroxypropylidene)-1,1-bisphosphonate
[2-Aminoethyl(hydroxy)methylene]bisphosphonic acid
(3-amino-1-hydroxypropane-1,1-diyl)diphosphonic acid
[EINECS(EC#)]

254-905-2
[Molecular Formula]

C3H11NO7P2
[MDL Number]

MFCD00168777
[MOL File]

40391-99-9.mol
[Molecular Weight]

235.07
Chemical PropertiesBack Directory
[Melting point ]

226-228°C
[Boiling point ]

658.7±65.0 °C(Predicted)
[density ]

1.998±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[solubility ]

Methanol (Very Slightly, Heated, Sonicated), Water (Slightly, Heated, Sonicated)
[form ]

Solid
[pka]

1.44±0.10(Predicted)
[color ]

Light Brown to Beige
[Stability:]

Hygroscopic
[InChI]

InChI=1S/C3H11NO7P2/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)
[InChIKey]

WRUUGTRCQOWXEG-UHFFFAOYSA-N
[SMILES]

C(P(=O)(O)O)(P(=O)(O)O)(O)CCN
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Phosphorus trichloride-->Activated carbon,decolor-->β-Alanine-->Disodium pamidronate-->Sodium hydroxide-->Mannitol
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Pamidronic acid (40391-99-9).msds
Safety DataBack Directory
[HS Code ]

9999999999
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Originator]

Aredia,Novartis,India
[Uses]

A biphosphonate bone resorption inhibitor.
[Uses]

anticancer
[Definition]

ChEBI: Pamidronate is a phosphonoacetic acid.
[Manufacturing Process]

For a batch size of 5 L, 587.5 g (3.2 moles) of mannitol is dissolved in 3.5 L of water. Pamidronic acid (31.6 g, 0.133 moles) is mixed with a 1.0 L aliquot of the mannitol solution to form a slurry. The slurry is then transferred into the remainder of the mannitol solution, and stirred for at least 15 min. Aqueous 1 N sodium hydroxide (270 ml) is then added and the mixture is stirred until a clear, colorless solution results. The pH is then adjusted to 6.50.1 using either 1 M aqueous phosphoric acid or 1 N aqueous sodium hydroxide, as needed. The solution is then filtered through a 0.22 micron filter, and filled at 20°C into vials at 4.0 ml (4.172 g)/vial, under sterile conditions. The aqueous solution is frozen at -37°C and lyophilized (20 mbar, 20°-40°C) to yield 1,250 vials, each containing 30 mg of amorphous disodium pamidronate. The vials are sealed under positive nitrogen pressure. The disodium pamidronate is amorphous (noncrystalline) by X-ray diffraction and contains 0.7 wt-% water.
[Brand name]

Rescriptor (Agouron).
[Therapeutic Function]

Bone resorption suppressant
[References]

[1] Patent: WO2016/199111, 2016, A1. Location in patent: Paragraph 00134-00135
[2] Patent: US10081572, 2018, B2. Location in patent: Page/Page column 9
[3] Russian Journal of Bioorganic Chemistry, 2012, vol. 38, # 2, p. 224 - 229
[4] Letters in Drug Design and Discovery, 2016, vol. 13, # 6, p. 475 - 478
[5] Letters in Drug Design and Discovery, 2016, vol. 13, # 6, p. 475 - 478
Spectrum DetailBack Directory
[Spectrum Detail]

Pamidronic acid(40391-99-9)MS
Pamidronic acid(40391-99-9)1HNMR
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