Grundinformationen
- CAS
80-35-3- Standard-SMILES
COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1- InChIKey
VLYWMPOKSSWJAL-UHFFFAOYSA-N- Summenformel
- C11H12N4O3S
- Durchschnittliche Molmasse
- 280,31 g/mol
- Monoisotopische Masse
- 280,06301143
Überblick
Sulfamethoxypyridazine is a sulfonamide consisting of pyridazine having a methoxy substituent at the 6-position and a 4-aminobenzenesulfonamido group at the 3-position. It has a role as an antiinfective agent, an EC 2.5.1.15 (dihydropteroate synthase) inhibitor and a drug allergen. It is a sulfonamide, a member of pyridazines and a sulfonamide antibiotic. It is functionally related to a sulfanilamide.
Namen und Bezeichner
- Bevorzugter Name
- Sulfamethoxypyridazine
- IUPAC
- 4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide
- Lokaler Name
- Sulfamethoxypyridazin
- Englischer Name
- Sulfamethoxypyridazine
- Summenformel
- C11H12N4O3S
- Molmasse
- 280.3
Namen und Synonyme
sulfamethoxypyridazine80-35-3MidicelSulphamethoxypyridazineSulfapyridazineDepovernilLederkynKynex4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamideSulfametoxipiridazinaSulfametoxipiridazineSulfamethoxypyridazinum
Weitere Namen anzeigen
Sulfamethoxypyridazine-d3SMPZParamid6-Sulfanilamido-3-methoxypyridazineN1-(6-Methoxy-3-pyridazinyl)sulfanilamideDuroxKinex
Benzenesulfonamide, 4-amino-N-(6-methoxy-3-pyridazinyl)-3-Sulfa-6-methoxypyridazineRetasulphineSolfametossipiridazina3-Methoxy-6-sulfanylamidopyridazine3-Sulfanilamide-6-methoxypyridazine3-Sulfanilamido-6-methoxypyridazine6-Methoxy-3-sulfanilamidopyridazine
Datenbank-Bezeichner
- CAS
80-35-3- PubChem CID
- 5330
- DTXSID
DTXSID5023611- ChEMBL
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,3
- Polarare Oberfläche (TPSA)
- 116 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 376
Experimentelle und physikochemische Eigenschaften
Drugs
Pharmaceuticals -> Antibiotics
Pharmaceuticals -> Antibiotics (Sulfonamide)
LogP0.4
Animal DrugsPharmaceuticals -> Animal Drugs -> Approved in Taiwan
Collision Cross Section
159.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
154.41 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Schmelzpunkt
- 182 · 182-183°
- Siedepunkt
- 564.9 · 564.9±60.0 °C(Predicted)
- Dichte
- 1.3936 · 1.3936 (rough estimate)
- Brechungsindex
- 1.62 · 1.6200 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
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 4.9% (5 of 102) of reports.
Danger
H315 (43.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 102 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationSulfamethoxypyridazine: 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-(6-methoxy-3-pyridazinyl)-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (43.1%)
Sicherheitsdaten
- F
- 10
- wgk
- 2
- hs_code
- 29350090
- RTECS-Nr.
- WP0400000
- risk_code
- 37/38-41
- Toxizität
- LD50 orally in mice: 1750 mg/kg, (Seki)
- hazard_code
- Xi
- safety_code
- 26-39
Chemie und Industrie
Pharmakologische Informationen
ATC Code
J - Antiinfectives for systemic use
QJ - Antiinfectives for systemic use
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
Verwendung und Herstellung
Use ClassificationPharmaceuticals -> Animal Drugs -> Approved in Taiwan
Anwendungen
VerwendenSulfamethoxypyridazine is a long-acting sulfonamide antibiotic with anti-inflammatory and antibacterial effects, mainly used for streptococcus, staphylococcus, Escherichia coli and other infections, especially for urinary tract infections.
Vor- und nachgelagerte Produkte
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Nachgelagerte Produkte
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梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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