Erdosteine
pv144 · RV-144 · KW-9144 · Erdosten · Erdostiene · ERDOSTEINE · Erdosteine1 · Dithiosteine
식별자 및 물리적 특성
| CAS No. | 105426-14-0 |
|---|---|
| 분자식 | C8H11NO4S2 |
| 평균 분자량 | 249.3 g/mol |
| 단동위원소 질량 | 249.01295018 g/mol |
| SMILES | O=C(O)CSCC(=O)NC1CCSC1=O |
| InChIKey | QGFORSXNKQLDNO-UHFFFAOYSA-N |
| PubChem CID | 65632 |
| ChEMBL | CHEMBL1697744 |
| ChEBI | CHEBI:135014 |
| EC No. | 642-172-5 |
| DTXSID | DTXSID8048735 |
화학 및 물리적 성질
| XLogP | -0.1 |
|---|---|
| 극성 표면적 | 134 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 15 |
| 형식 전하 | 0 |
| 복잡도 | 282 |
| 의약품 | Pharmaceuticals -> Used in Switzerland |
| 녹는점 | 156-160°C |
| 끓는 점 | 590.4±50.0 °C(Predicted) |
| 밀도 | 1.48±0.1 g/cm3(Predicted) |
| 저장 조건 | Sealed in dry,2-8°C |
| 용해도 | 아세토니트릴(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨) |
| pKa(산도 계수) | 3.71(at 25℃) |
| 물리적 상태 | 고체 |
| 색상 | 흰색에서 황백색까지 |
| Merck | 14,3647 |
| InChI | 1S/C8H11NO4S2/c10-6(3-14-4-7(11)12)9-5-1-2-15-8(5)13/h5H,1-4H2,(H,9,10)(H,11,12) |
| InChIKey | QGFORSXNKQLDNO-UHFFFAOYSA-N |
| SMILES | S1CCC(C1=O)NC(=O)CSCC(=O)O |
화학적 성질
Off-White Solid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 12.5% (1 of 8) of reports.WarningH302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (75%) |
| 수질 위해 등급(WGK) | WGK 3 |
| RTECS 번호 | AJ1476200 |
| 독성 | LD50 in mice and rats (g/kg): >10 orally>3.5 i.v. (Gonella) |
| 관세 코드 | 2934.99.9001 |
| 위험 등급 | Acute Tox. 4 Oral |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
Erdosteine is a new expectorant introduced in France for the treatment of chronic bronchitis. Erdosteine possesses mucomodulator, mucolytic, mucokinetic and free radical scavenging properties. Its therapeutic efficacy has been demonstrated in patients affected by congestion and viscous mucus in higher and lower respiratory tracts as in acute and chronic bronchitis, sinusitis, otitis, tracheopharyngitis and coryza. Erdosteine acts through its active metabolites containing free sulfhydryl groups which are able to depolymerize the mucopolysaccharides of the excreatum by breaking the disulfide linkages (thereby lowing its viscosity). The prodrug approach provides unique characteristics to erdosteine by offering stable therapeutic efficacy and prevention of the gastric mucus from lythic phenomena. The agent was also reported to have local antiinflammatory and antielastase properties and enhances penetration of antibiotics into bronchial mucus.
용도
Erdosteine is a mucolytic. Erdosteine was developed for the treatment of chronic obstructive bronchitis.