Basic information
- CAS
127-73-1- Standard SMILES
CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1- InChIKey
PHFJZKMLXDFUNB-UHFFFAOYSA-N- Molecular formula
- C13H14N4O3S
- Average molar mass
- 306.34 g/mol
- Monoisotopic mass
- 306.07866149
Overview
structure given in first source
Names & identifiers
- Preferred name
- N4-Acetylsulfamerazine
- IUPAC
- N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
- English name
- N-[4-[[(4-methyl-2-pyrimidinyl)amino]sulphonyl]phenyl]acetamide
- Molecular formula
- C13H14N4O3S
- Molecular weight
- 306.34
Names & synonyms
127-73-1AcetylsulfamerazineN(4)-AcetylsulfamerazineN4-AcetylsulfamerazineS0D41HX8KGDTXSID40155361RefChem:831614DTXCID5077852204-861-5N-AcetylsulfamerazineN-(4-(N-(4-methylpyrimidin-2-yl)sulfamoyl)phenyl)acetamideN-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
Show more names
Sulfamerazine N-Acetyl4'-[(4-Methyl-2-pyriMidinyl)sulfaMoyl]acetanilideN-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}ac etamideN-(4-Methyl-2-pyrimidinyl)-4-(acetylamino)benzenesulfonamideN-[4-[[(4-Methyl-2-pyrimidinyl)amino]sulfonyl]phenyl]acetamide
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamideAcetamide, N-[4-[[(4-methyl-2-pyrimidinyl)amino]sulfonyl]phenyl]-SulfamelazineAcetamide, N-(4-(((4-methyl-2-pyrimidinyl)amino)sulfonyl)phenyl)-EINECS 204-861-5N-acetyl-sulfamerazineSulfamerazine-N-acetylN4-acetyl-sulfamerazine
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 455
Experimental & physicochemical properties
Solubility>46 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 250 · 250-252°C
- Density
- 1.3443 · 1.3443 (rough estimate)
- refractive index
- 1.62 · 1.6200 (estimate)
- storage temp.
- Refrigerator
- solubility
- Methanol (Slightly, Heated)
- form
- Solid
- pka
- 6.62 · 6.62±0.10(Predicted)
- color
- Yellow
- Water Solubility
- 367.6 mg/L · 367.6mg/L(37 ºC)
- FDA UNII
- 0 D41HX8KG · S0D41HX8KG
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H335-H319
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Pharmacology
Metabolism/MetabolitesN(4)-Acetylsulfamerazine is a known human metabolite of sulfamerazine.
Applications
UsesThe main metabolite of antibacterial drug Sulfamerazine.
Suppliers30 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
韶关市启程生物科技有限公司18122215013 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
成都瑞欧克科技有限公司
Related reactions
0 records
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Compound notes
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