Basic information
- CAS
651-06-9- Standard SMILES
COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1- InChIKey
GPTONYMQFTZPKC-UHFFFAOYSA-N- Molecular formula
- C11H12N4O3S
- Average molar mass
- 280.31 g/mol
- Monoisotopic mass
- 280.06301143
Overview
Sulfamethoxydiazine is a sulfonamide consisting of pyrimidine having a methoxy substituent at the 5-position and a 4-aminobenzenesulfonamido group at the 2-position. It has a role as an antiinfective agent, a leprostatic drug and a renal agent. It is a sulfonamide, a member of pyrimidines and a sulfonamide antibiotic. It is functionally related to a sulfanilamide.
Names & identifiers
- Preferred name
- Sulfameter
- IUPAC
- 4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide
- English name
- Sulfameter
- Molecular formula
- C11H12N4O3S
- Molecular weight
- 280.3
Names & synonyms
sulfameter651-06-9Sulfamethoxydiazine4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamideSulfametoxydiazineSulfamethoxypyrimidineSulphamethoxydiazineSullaSulfamethoxineSulfametinUltraxSulphameter
Show more names
SMDSulfaneter2-sulfanilamido-5-methoxypyrimidinesh613I-2586
Sulfa-5-methoxypyrimidineBayrenaSulfametoxidiazinaSolfametossidiazina4-Amino-N-(5-methoxy-2-pyrimidinyl)benzenesulfonamideAHR-857Benzenesulfonamide, 4-amino-N-(5-methoxy-2-pyrimidinyl)-Sulfametoxydiazinum
Database identifiers
- CAS
651-06-9- PubChem CID
- 5326
- DTXSID
DTXSID5023613- ChEMBL
CHEMBL1200359- ChEBI
CHEBI:53727- UNII
- 3L179F09D6
- EC Number
- 211-480-8
- Nikkaji
- J9.462E
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 368
Experimental & physicochemical properties
Drugs
Pharmaceuticals -> Antibiotics
Pharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesFusion temperature
LogP0.41
Solubility>42 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Pharmaceuticals
Collision Cross Section
161.6 Ų [M+H]+ [CCS Type: TW; Method: calibrated with Waters Major Mix]
159 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
157.69 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 214 · 214-216°C
- Boiling point
- 539.4 · 539.4±56.0 °C(Predicted)
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 69 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Other Safety InformationIMAP assessments - Benzenesulfonamide, 4-amino-N-(5-methoxy-2-pyrimidinyl)-: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- rtecs
- WP0525000
- hs_code
- 29350090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
Chemistry & industry
Pharmacology
ATC CodeJ - Antiinfectives for systemic use
MeSH Pharmacological Classification
Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Substances capable of killing agents causing urinary tract infections or of preventing them from spreading.
Substances that suppress Mycobacterium leprae, ameliorate the clinical manifestations of leprosy, and/or reduce the incidence and severity of leprous reactions.
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
UsesSulfameter is an antibacterial.
UsesSulfameter is a sulfonamide antibiotic used as a leprostatic agent and to treat urinary tract infections. It has been investigated as a potential therapy for chloroquine-resistant malaria during pregnancy.
General DescriptionChemical structure: sulfonamide
Upstream & downstream products
Upstream raw materials
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都彼样生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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