Basic information
- CAS
80-35-3- Standard SMILES
COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1- InChIKey
VLYWMPOKSSWJAL-UHFFFAOYSA-N- Molecular formula
- C11H12N4O3S
- Average molar mass
- 280.31 g/mol
- Monoisotopic mass
- 280.06301143
Overview
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.
Names & identifiers
- Preferred name
- Sulfamethoxypyridazine
- IUPAC
- 4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide
- English name
- Sulfamethoxypyridazine
- Molecular formula
- C11H12N4O3S
- Molecular weight
- 280.3
Names & synonyms
sulfamethoxypyridazine80-35-3MidicelSulphamethoxypyridazineSulfapyridazineDepovernilLederkynKynex4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamideSulfametoxipiridazinaSulfametoxipiridazineSulfamethoxypyridazinum
Show more names
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
Database identifiers
- CAS
80-35-3- PubChem CID
- 5330
- DTXSID
DTXSID5023611- ChEMBL
CHEMBL268869
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 376
Experimental & physicochemical properties
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]
Physicochemical properties
- Melting point
- 182 · 182-183°
- Boiling point
- 564.9 · 564.9±60.0 °C(Predicted)
- Density
- 1.3936 · 1.3936 (rough estimate)
- refractive index
- 1.62 · 1.6200 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
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%)
Safety data
- F
- 10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- rtecs
- WP0400000
- hs_code
- 29350090
- Toxicity
- LD50 orally in mice: 1750 mg/kg, (Seki)
- risk_code
- 37/38-41
- Signal word
- Danger
Chemistry & industry
Pharmacology
ATC Code
J - Antiinfectives for systemic use
QJ - Antiinfectives for systemic use
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
Uses & manufacturing
Use ClassificationPharmaceuticals -> Animal Drugs -> Approved in Taiwan
Applications
UsesSulfamethoxypyridazine 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.
General DescriptionSulfamethoxypyridazine is a sulfonamide antibiotic mainly used to prevent infections as well as conditions such as coccidiosis, diarrhea and gastroenteritis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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