Basic information
- CAS
1220-83-3- Standard SMILES
COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1- InChIKey
WMPXPUYPYQKQCX-UHFFFAOYSA-N- Molecular formula
- C11H12N4O3S
- Average molar mass
- 280.31 g/mol
- Monoisotopic mass
- 280.06301143
Overview
Sulfamonomethoxine is a member of benzenes and a sulfonamide.
Names & identifiers
- Preferred name
- Sulfamonomethoxine
- IUPAC
- 4-amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide
- English name
- Sulfamonomethoxine
- Molecular formula
- C11H12N4O3S
- Molecular weight
- 280.3
Names & synonyms
sulfamonomethoxine1220-83-3Daimeton4-amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamideSulfamonometoxinaSulfamonomethoxinumBenzenesulfonamide, 4-amino-N-(6-methoxy-4-pyrimidinyl)-DTXSID8045351NSC-757862U700P169W2DTXCID6025351RefChem:932367
Show more names
SMMSulfamonomethoxine Baseds-36dj-1550ici32525ro4-3476AKOS B01435994tem0moxineSulfamethoxidine
624-483-8SulfamonomethoxinSulfamonmethoxine4-Amino-N-(6-methoxy-4-pyrimidinyl)benzenesulfonamide4-amino-N-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide4-METHOXY-6-SULFANILAMIDOPYRIMIDINEMFCD00063466CHEBI:32164
Database identifiers
- CAS
1220-83-3- PubChem CID
- 5332
- DTXSID
DTXSID8045351- ChEMBL
CHEMBL462990
Properties
Computed structural properties
- XLogP
- 0.8
- 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)
LogP0.7
Animal DrugsPharmaceuticals -> Animal Drugs -> Approved in Taiwan
Collision Cross Section
159.5 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
153.36 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 203 · 203-2060C
- Boiling point
- 513 ℃ · 513℃
- Density
- 1.3936 · 1.3936 (rough estimate)
- refractive index
- 1.62 · 1.6200 (estimate)
- Flash point
- 110 ° · >110°(230°F)
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
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, 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 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 2
- rtecs
- WP0550000
- hs_code
- 29350090
- Toxicity
- LD50 oral in rabbit: > 10gm/kg
- risk_code
- 36/37/38-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H317-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
Chemistry & industry
Pharmacology
ATC CodeQJ - Antiinfectives for systemic use
MeSH Pharmacological ClassificationSubstances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Uses & manufacturing
Use ClassificationPharmaceuticals -> Animal Drugs -> Approved in Taiwan
Applications
Usesantibacterial
UsesProtein binding. Inhibitor of enzyme. Sulfamonomethoxine and Trimethoprim are used for treating porcine unknown hyperpyrexia.
General DescriptionChemical structure: sulfonamide
Upstream & downstream products
Upstream raw materials
Suppliers100 total
北京华美互利生物化工
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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