HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Fasudil
at877 · FASUDIL · Fasudilum · Fasudil HCI · HA-1077：Eril · FASUDIL USP/EP/BP · Fasudil Hydrchloride · Fasudil hydrochlorid
Identifikatoren & physikalische Daten
| CAS No. | 103745-39-7 |
|---|---|
| Summenformel | C14H17N3O2S |
| Durchschnittliche Molmasse | 291,37 g/mol |
| Monoisotopische Masse | 291,10414778 g/mol |
| SMILES | O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 |
| InChIKey | NGOGFTYYXHNFQH-UHFFFAOYSA-N |
| PubChem CID | 3547 |
| ChEMBL | CHEMBL38380 |
| ChEBI | CHEBI:43871 |
| EC No. | 816-154-4 |
| DTXSID | DTXSID4048569 |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 70,7 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 421 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Siedepunkt | 506.2±60.0 °C(Predicted) |
| Dichte | 1.289±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Store at RT |
| Löslichkeit | H2O: >200 mg/mLSoluble in water or DMSO |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 9.73±0.20(Predicted) |
| Farbe | white |
| InChI | 1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 |
| InChIKey | NGOGFTYYXHNFQH-UHFFFAOYSA-N |
| SMILES | [S](=O)(=O)(N3CCNCCC3)c1c2c(cncc2)ccc1 |
| CAS Datenbank | 103745-39-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29334900 |
| RTECS-Nr. | HM4031166 |
| Toxizität | mouse,LD50,unreported,73500ug/kg (73.5mg/kg),United States Patent Document. Vol. #4678783, |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Fasudil is a protein kinase A inhibitor and may be used in medicinal combinations for hepatitis treatment.