Grundinformationen
- Standard-SMILES
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1- InChIKey
JLKIGFTWXXRPMT-UHFFFAOYSA-N- Summenformel
- C10H11N3O3S
- Durchschnittliche Molmasse
- 253,28 g/mol
- Monoisotopische Masse
- 253,05211239
Namen und Bezeichner
- Bevorzugter Name
- Sulfamethoxazole
- IUPAC
- 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
- Lokaler Name
- Sulfamethoxazol
- Englischer Name
- Sulfamethoxazole
- Summenformel
- C10H11N3O3S
- Molmasse
- 253.28
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
144930-01-8、144993-89-5、723-46-6- PubChem CID
- 5329
- DTXSID
DTXSID8026064- ChEMBL
CHEMBL443- ChEBI
CHEBI:9332- UNII
- JE42381TNV
- EC Number
- 211-963-3、656-929-2
- Nikkaji
- J4.525J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 107 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 346
Physikochemische Eigenschaften
- Schmelzpunkt
- 166 °C · 166 °C
- Siedepunkt
- 482 ℃ · 482℃
- Dichte
- 1.3915 · 1.3915 (rough estimate)
- Brechungsindex
- 1.663 · 1.6630 (estimate)
- Flammpunkt
- 110 ° · >110°(230°F)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- Practically insoluble in water, freely soluble in acetone, sparingly soluble in ethanol (96 per cent). It dissolves in dilute solutions of sodium hydroxide and in dilute acids.
- pka
- 5.6 · pKa 5.60±0.05 (Uncertain)
- Aggregatzustand
- Solid
- Farbe
- White to Pale Yellow
- Wasserlöslichkeit
- Soluble in ethanol or acetone. Very slightly soluble in water
- Merck
- 14 · 14,8918
- BRN
- 6732984 · 6732984
- Henry's Law Constant
- 1.5 · 1.5×107 mol/(m3Pa) at 25℃, HSDB (2015)
- BCS Class
- 2 · 2,4
- Stabilität
- Stable, but light sensitive. Incompatible with strong oxidizing agents.
- Major Application
- forensics and toxicologypharmaceutical (small molecule)
- InChI
- 1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
- InChIKey
- JLKIGFTWXXRPMT-UHFFFAOYSA-N
- SMILES
- Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1
- CAS Datenbank
- 723 · 723-46-6(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Sulfanilamide, n1-(5-methyl-3-isoxazolyl)-(723-46-6)
- EPA chemische Informationen
- Sulfamethoxazole (723-46-6)
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29350090
- RTECS-Nr.
- WP0700000
- risk_code
- 36/37/38-43-22
- Toxizität
- LD50 orally in mice: 3662 mg/kg (Yamamoto)
- hazard_code
- Xi,Xn
- safety_code
- 26-36-36/37/39-22
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Giftige Stoffe Daten
- 723-46-6(Hazardous Substances Data)
- Hazard Classifications
- Aquatic Chronic 2Repr. 2
Chemie und Industrie
Anwendungen
BeschreibungLike sulfisoxazole, this drug is effective in treating infections caused by streptococci, gonococci, pneumococci, staphylococci as well as colon bacillus. Unlike sulfisoxazole, only about 70% of it binds with proteins in the plasma after oral administration, and it diffuses mostly to tissues and tissue fluids. However, since it is removed much slower than sulfisoxazole, it does not require frequent administration and is also the drug of choice for many systemic infections. Moreover, it is an ingredient of a combined drug named bactrim, biseptol, and so on (which will be examined later on), which has a fixed correlation with trimethoprim. Synonyms of this drug are gantanol, sinomin, sulfisomezole, and others.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter50 Anbieter
Ergänzende Hinweise
DefinitionChEBI: An isoxazole (1,2-oxazole) compound having a methyl substituent at the 5-position and a 4-aminobenzenesulfonamido group at the 3-position.
Zugehörige Reaktionen
Verknüpfte Notizen
Wird geladen…