Sulfatroxazole
Basic information
- CAS
23256-23-7- Standard SMILES
Cc1onc(NS(=O)(=O)c2ccc(N)cc2)c1C- InChIKey
DAUFGBIKKGOPJA-UHFFFAOYSA-N- Molecular formula
- C11H13N3O3S
- Average molar mass
- 267.31 g/mol
- Monoisotopic mass
- 267.06776246
Overview
Sulfatroxazole is a small molecule drug. Sulfatroxazole has a monoisotopic molecular weight of 267.07 Da.
Names & identifiers
- Preferred name
- Sulfatroxazole
- IUPAC
- 4-amino-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
- English name
- sulfatroxazole
- Molecular formula
- C11H13N3O3S
- Molecular weight
- 267.3
Names & synonyms
Sulfatroxazole23256-23-7SulfatroxazolSulfatroxazolumZXC0PT8FFSDTXSID20177829RefChem:186546DTXCID30100320N(1)-(4,5-dimethyl-3-isoxazolyl)sulfanilamide245-530-54-amino-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamideCHEMBL26630
Show more names
SULPHATROXAZOLESulfamycosazole APISulfamethoxazole APISulfatroxazole StandardC17000250 Sulfatroxazole4-AMINO-N-(DIMETHYL-1,2-OXAZOL-3-YL)BENZENESULFONAMIDEN-(4,5-Dimethyl-3-isoxazolyl)-4-aminobenzenesulfonamide
4-Amino-N-(4,5-dimethyl-3-isoxazolyl)benzenesulfonamide4-amino-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzene-1-sulfonamideN(sup 1)-(4,5-Dimethyl-3-isoxazolyl)sulfanilamideSulfatroxazolum [INN-Latin]4,5-Dimethyl-3-sulfanilamidoisoxazole; Isosulfafurazole; N1-(4,5-Dimethyl-3-isoxazolyl)sulfanilamideUNII-ZXC0PT8FFSSulfatroxazole [INN:BAN]Sulfatroxazol [INN-Spanish]
Database identifiers
- CAS
23256-23-7- PubChem CID
- 31771
- DTXSID
DTXSID20177829- ChEMBL
CHEMBL26630- UNII
- ZXC0PT8FFS
- EC Number
- 245-530-5
- Nikkaji
- J16.765G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Melting point
- 193 · 193-195.5 °C
- Boiling point
- 484.9 · 484.9±55.0 °C(Predicted)
- Density
- 1.411 · 1.411±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 5.93 · 5.93±0.50(Predicted)
- color
- Pale Yellow to Pale Brown
- Major Application
- forensics and toxicology
- InChI
- InChI=1S/C11H13N3O3S/c1-7-8(2)17-13-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14)
- InChIKey
- DAUFGBIKKGOPJA-UHFFFAOYSA-N
- SMILES
- C1(S(NC2C(C)=C(C)ON=2)(=O)=O)=CC=C(N)C=C1
- FDA UNII
- 0 PT8FFS · ZXC0PT8FFS
- UNSPSC Code
- 41116107 · 41116107
- Symbol(GHS)
- 8 · GHS08,GHS07
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P261, P272, P280, P302+P352, P318, P321, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Other Safety InformationIMAP assessments - Benzenesulfonamide, 4-amino-N-(4,5-dimethyl-3-isoxazolyl)-: Human health tier I assessment
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317-H361d
- Hazard Classifications
- Repr. 2Skin Sens. 1
- Precautionary statements
- P202-P261-P272-P280-P302+P352-P308+P313
Chemistry & industry
Pharmacology
ATC CodeQJ - Antiinfectives for systemic use
Applications
UsesSulfatroxazole is a component present in various veterinary drugs. Possible antibacterial activity due to presence of sulfonamide moiety in the structure.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…