Grundinformationen
- CAS
122-11-2- Standard-SMILES
COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1- InChIKey
ZZORFUFYDOWNEF-UHFFFAOYSA-N- Summenformel
- C12H14N4O4S
- Durchschnittliche Molmasse
- 310,33 g/mol
- Monoisotopische Masse
- 310,07357611
Überblick
Sulfadimethoxine is a sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. It has a role as an antimicrobial agent, an antiinfective agent, a xenobiotic, an environmental contaminant and a drug allergen. It is a sulfonamide, an aromatic ether, a member of pyrimidines, a substituted aniline and a sulfonamide antibiotic. It is functionally related to a sulfanilamide.
Namen und Bezeichner
- Bevorzugter Name
- Sulfadimethoxine
- IUPAC
- 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
- Lokaler Name
- Sulfadimethoxin
- Englischer Name
- Sulfadimethoxine
- Summenformel
- C12H14N4O4S
- Molmasse
- 310.33
Namen und Synonyme
sulfadimethoxine122-11-2SulphadimethoxineAlbon4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamideSulfadimethoxydiazineMadribonSulfadimetoxinaSulfadimethoxinumBenzenesulfonamide, 4-amino-N-(2,6-dimethoxy-4-pyrimidinyl)-4-Amino-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide2,6-Dimethoxy-4-sulfanilamidopyrimidine
Weitere Namen anzeigen
Sulfadimethoxine basesulfadimethoxinsymbiosulfadimetoxinSulfadimethoxine for peak identificationabcidfuxalsudine
2,4-Dimethoxy-6-sulfanilamido-1,3-diazine6-Sulfanilamido-2,4-dimethoxypyrimidineDTXSID1023607SULFAMED-G4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzene-1-sulfonamide2,6-Dimethoxy-4-(p-aminobenzenesulfonamido)pyrimidineNSC-68354430CPC5LDEX
Datenbank-Bezeichner
- CAS
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 125 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 419
Experimentelle und physikochemische Eigenschaften
Chemical ClassesPharmaceutical
Drugs
Pharmaceuticals -> Antibiotics (Sulfonamide)
Pharmaceuticals -> Antibiotics
Pharmaceuticals -> Listed in ZINC15
LogP0.96
Animal Drugs
FDA approved animal drugs -> Active ingredient
Pharmaceuticals -> UK Veterinary Medicines Directorate List
Pharmaceuticals -> Animal Drugs -> Approved in Taiwan
Physical DescriptionSolid
Ionization Efficiency
Positive
2.74
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Collision Cross Section
173.09 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
166 Ų [M+H]+ [CCS Type: TW]
170.5 Ų [M+H]+ [CCS Type: TW; Method: calibrated with Waters Major Mix]
167.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 4.4% (5 of 113) of reports.
Warning
H315 (46%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 113 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationSulfadimethoxine: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Benzenesulfonamide, 4-amino-N-(2,6-dimethoxy-4-pyrimidinyl)-: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (46%)
Toxikologische Informationen
USGS Health-Based Screening Levels for Evaluating Water-Quality
Sulfadimethoxine
Pharmaceutical
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
Sicherheitsdaten
Chemie und Industrie
Pharmakologische Informationen
ATC Code
J01ED02
J - Antiinfectives for systemic use
QP - Antiparasitic products, insecticides and repellents
QJ - Antiinfectives for systemic use
PharmacodynamicsSulfadimethoxine has been shown to be effective against streptococci, klebsiella, proteus, shigella, staphylococci, escherichia, and salmonella.
MeSH Pharmacological ClassificationSubstances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Cellular LocationsMembrane
Verwendung und Herstellung
Use Classification
Pharmaceuticals -> Antiinfectives for systemic use -> Antibacterials for systemic use -> Sulfonamides and trimethoprims -> Long-acting sulfonamides -> Antibiotics
Pharmaceuticals -> Animal Drugs -> Approved in Taiwan
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Vorgelagerte Rohstoffe
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