Alendronate sodium anhydrous

HCID 16760285CAS 129318-43-0

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Grundinformationen

Standard-SMILES: NCCCC(O)(P(=O)([O-])O)P(=O)(O)O.[Na+]
InChIKey: CAKRAHQRJGUPIG-UHFFFAOYSA-M
Summenformel: C4H12NNaO7P2
Durchschnittliche Molmasse: 271,08 g/mol
Monoisotopische Masse: 270,99866926

Überblick

See also: Sotalol Hydrochloride (annotation moved to); Alendronate Sodium (annotation moved to); Alendronic Acid (annotation moved to).

Namen und Bezeichner

Bevorzugter Name: Alendronate sodium anhydrous
IUPAC: sodium (4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate
Englischer Name: Alendronate sodium
Summenformel: C4H13NNaO7P2
Molmasse: 272.09

Namen und Synonyme

129318-43-0Monosodium alendronateAlendronate sodium anhydrous4988K7X26PDTXSID70904501RefChem:1076325DTXCID501333649FosamaxFosamacalendronate monosodiumAlendronic acid sodium saltMFCD01861681

Weitere Namen anzeigen

ALENDRONATESODIUM ALENDRONATE(4-Amino-1-hydroxybutane-1,1-diyl)diphosphonic acid, sodium saltMK-217Alendronate sodiumAlendronic acid, sodiuM saltAlendronate sodium USP/EP/BPtetrasodium 4-amino-1,1-diphosphonatobutan-1-ol

sodium;(4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinateAlendronic Acid Monosodium SaltSODIUM HYDROGEN (4-AMINO-1-HYDROXY-1-PHOSPHONOBUTYL)PHOSPHONATEOnclast; Osteovan; Sodium alendronateOsteovanIndrolAlendNeoBon

Datenbank-Bezeichner

CAS: 129318-43-0
PubChem CID: 16760285
DTXSID: DTXSID70904501
UNII: 4988K7X26P
EC Number: 603-329-3

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 164 Å²
H-Brücken-Donoren: 5
H-Brücken-Akzeptoren: 8
Frei drehbare Bindungen: 5
Schwere Atome: 15
Formalladung: 0
Komplexität: 293

Experimentelle und physikochemische Eigenschaften

Physical DescriptionDry Powder

Collision Cross Section155.4 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physikochemische Eigenschaften

Schmelzpunkt: 119 °C · 119 °C
storage temp.: -20 °C · Desiccate at -20°C
Löslichkeit: 15 mg/mL · ≥ 15mg/mL in Water with gentle warming
BCS Class: 3 · 3
CAS Datenbank: 129318 · 129318-43-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Phosphonic acid, P,P'-(4-amino-1-hydroxybutylidene)bis-, sodium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P,P'-(4-amino-1-hydroxybutylidene)bis-, sodium salt (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

tsca: TSCA listed
Toxizität: dog,LD,oral,> 200mg/kg (200mg/kg),International Journal of Clinical Practice, Supplement. Vol. 101, Pg. 3, 1999.
hazard_class: IRRITANT

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 50,000 - <250,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 Einträge

Printing Ink Manufacturing

Phosphonic acid, P,P'-(4-amino-1-hydroxybutylidene)bis-, sodium salt (1:1): ACTIVE

Anwendungen · 1 Eintrag

BeschreibungAlendronate sodium is the fourth bisphosphonate to reach the market for the treatment of postmenopausal osteoporosis. Bisphosphonates are potent inhibitors of bone resorption. They reduce pain and complications due to bone metastases, are effective in Paget's disease and in increasing bone mineral density. These agents bind tightly to hydroxyapatite crystals and are retained on bone resorption surfaces. Local release of the bisphosphonates occurs by acidification during the process of the bone resorption to impair the osteoclasts' ability to resorb bone. Alendronate is more potent than other bisphosphonates such as clodronate, pamidronate, and etidronate and is reported to have no deleterious effects on bone. It has also been shown to reduce hypercalcemia in cancer patients.