Alendronate sodium anhydrous

HCID 16760285

기본 정보

CAS: 129318-43-0
표준 SMILES: NCCCC(O)(P(=O)([O-])O)P(=O)(O)O.[Na+]
InChIKey: CAKRAHQRJGUPIG-UHFFFAOYSA-M
분자식: C4H12NNaO7P2
평균 분자량: 271.08 g/mol
단동위원소 질량: 270.99866926

개요

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

이름 및 식별자

우선 이름: Alendronate sodium anhydrous
IUPAC: sodium (4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate
영어명: Alendronate sodium
분자식: C4H13NNaO7P2
분자량: 272.09

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 164 Å²
수소 결합 공여자 수: 5
수소 결합 수용자 수: 8
회전 가능 결합 수: 5
무거운 원자 수: 15
형식 전하: 0
복잡도: 293

실험 및 물리화학적 성질

Physical DescriptionDry Powder

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

물리화학적 성질

녹는점: 119 °C · 119 °C
저장 조건: -20 °C · Desiccate at -20°C
용해도: 15 mg/mL · ≥ 15mg/mL in Water with gentle warming
BCS Class: 3 · 3

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 2건

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%)

안전 데이터

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

화학 및 산업

용도 및 제조

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

Industry UsesIntermediate

General Manufacturing Information · 2건

Printing Ink Manufacturing

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

응용 분야 · 1건

개요Alendronate 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.