HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Succinylsulfathiazole
SST · SMST · rolsul · THIACYL · kaoxidin · KAOXIDINE · colistatin · sulfadigesin
Identifikatoren & physikalische Daten
| CAS No. | 116-43-8 |
|---|---|
| Summenformel | C13H13N3O5S2 |
| Durchschnittliche Molmasse | 355,4 g/mol |
| Monoisotopische Masse | 355,02966252 g/mol |
| SMILES | O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 |
| InChIKey | SKVLYVHULOWXTD-UHFFFAOYSA-N |
| PubChem CID | 5315 |
| ChEMBL | CHEMBL1484857 |
| ChEBI | CHEBI:9309 |
| EC No. | 204-141-0 |
| DTXSID | DTXSID7045281 |
Chemische & physikalische Eigenschaften
| XLogP | -0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 162 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 526 |
| Arzneimittel | Pharmaceuticals -> Antibiotics |
| Löslichkeit | 51.4 [ug/mL] (The mean of the results at pH 7.4)1 M NaOH: soluble50mg/mL0.49g/L(38 ºC) |
| Animal Drugs | Pharmaceuticals -> Animal Drugs -> Approved in Taiwan |
| Collision Cross Section | 183.88 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]182.4 Ų [M+H]+ [CCS Type: TW |
| Schmelzpunkt | 193.5°C |
| Dichte | 1.4807 (rough estimate) |
| Brechungsindex | 1.6390 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | pKa 4.5 (Uncertain) |
| Aggregatzustand | powder |
| Farbe | white to off-white |
| Merck | 14,8877 |
| BRN | 349989 |
| CAS Datenbank | 116-43-8(CAS DataBase Reference) |
| EPA chemische Informationen | Butanoic acid, 4-oxo-4-[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]- (116-43-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.4% (1 of 42) of reports.WarningH317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Weitere Sicherheitsinformationen | IMAP assessments - Butanoic acid, 4-oxo-4-[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]-: Environment tier I assessment |
| Hazard Classes and Categories | Skin Sens. 1 (97.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3249 |
| Zollcode | 29350090 |
| RTECS-Nr. | WM4767000 |
| R-Sätze (R) | 42/43 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 22-36/37-45 |
| Gefahrenklasse | 6.1(b) |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
Succinylsulfathiazole is antibacterial