Basic information
- CAS
18607-98-2- Standard SMILES
CC(=O)N(c1cc(C)on1)S(=O)(=O)c1ccc(N)cc1- InChIKey
WOTJLXVSBKKTTH-UHFFFAOYSA-N- Molecular formula
- C12H13N3O4S
- Average molar mass
- 295.32 g/mol
- Monoisotopic mass
- 295.06267708
Names & identifiers
- Preferred name
- Acetylsulfisomezole
- IUPAC
- N-(4-aminophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
- English name
- N-[(4-aminophenyl)sulphonyl]-N-(5-methylisoxazol-3-yl)acetamide
- Molecular formula
- C12H13N3O4S
- Molecular weight
- 295.31
Names & synonyms
18607-98-2N(1)-AcetylsulfamethoxazoleAcetylsulfisomezoleEL4J65DX4BN(1)-acetylsulphamethoxazoleDTXSID70171852Acetamide, N-((4-aminophenyl)sulfonyl)-N-(5-methyl-3-isoxazolyl)-Acetamide, N-[(4-aminophenyl)sulfonyl]-N-(5-methyl-3-isoxazolyl)-RefChem:821375DTXCID7094343242-446-0N1-Acetylsulfamethoxazole
Show more names
N-(5-Methyl-3-isoxazolyl)-N-sulfanilylacetamideN-Acetyl-N-(5-methylisoxazole-3-yl)-4-aminobenzenesulfonamide3-[N-Acetyl-N-(p-aminophenylsulfonyl)amino]-5-methylisoxazole
N1-AcetylsulfamethoxazolN-(4-aminophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamideN-((4-Aminophenyl)sulfonyl)-N-(5-methylisoxazol-3-yl)acetamideN-(4-aminophenyl)sulfonyl-N-(5-methylisoxazol-3-yl)acetamideN-[(4-AMINOPHENYL)SULPHONYL]-N-(5-METHYLISOXAZOL-3-YL)ACETAMIDEN-((4-Aminophenyl)sulphonyl)-N-(5-methylisoxazol-3-yl)acetamideEINECS 242-446-0Sulfamethoxazole-N1-acetyl
Database identifiers
- CAS
18607-98-2- PubChem CID
- 87725
- DTXSID
DTXSID70171852- UNII
- EL4J65DX4B
- EC Number
- 242-446-0
- Nikkaji
- J38.393G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 454
Physicochemical properties
- Melting point
- 183 · 183-184 °C
- Boiling point
- 532.9 · 532.9±60.0 °C(Predicted)
- Density
- 1.438 · 1.438±0.06 g/cm3(Predicted)
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- -0.36 · -0.36±0.10(Predicted)
- color
- Off-White to Pale Beige
- FDA UNII
- 4 J65DX4B · EL4J65DX4B
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H317-H319-H335
- Precautionary statements
- 280 · P280-P302+P352-P305+P351+P338
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 39 reports by companies from 2 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H317-H319-H335
- Precautionary statements
- P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesN1-Acetylsulfamethoxazole is a plasma sulphapyridine or sulphamethoxazole acetyl metabolite.
Suppliers4 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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