Basic information
- CAS
199854-00-7- Standard SMILES
CC(=O)ONC(=O)c1ccccc1O- InChIKey
PCFWLDHLJWUGSU-UHFFFAOYSA-N- Molecular formula
- C9H9NO4
- Average molar mass
- 195.17 g/mol
- Monoisotopic mass
- 195.05315777
Names & identifiers
- Preferred name
- Acetic Acid Salicyloyl-Amino-Ester
- IUPAC
- [(2-hydroxybenzoyl)amino] acetate
- English name
- o-Acetylsalicylhydroxamic acid
- Molecular formula
- C9H9NO4
- Molecular weight
- 195.17
Names & synonyms
ACETIC ACID SALICYLOYL-AMINO-ESTER(2-HYDROXYPHENYL)FORMAMIDO ACETATERefChem:551974199854-00-7O-Acetyl Salicylhydroxamic Acid[(2-hydroxybenzoyl)amino] acetateN-(Acetyloxy)-2-hydroxybenzamideAcetic acid, (2-hydroxybenzoyl)azanyl ester(1-Methylethyl)carbamic Acid 2-[[(Aminocarbonyl)oxy]methyl]-4-hydroxy-2- methylpentyl Ester;SCLSCHEMBL4318044PCFWLDHLJWUGSU-UHFFFAOYSA-N
Show more names
ACSHAO-ASHAAcSHA, O-ASHAo-Acetylsalicylhydroxamic acid(2-Hydroxybenzoyl)azanyl acetateN-(ACETYLOXY)-2-HYDROXY BENZAMIDEBenzamide, N-(acetyloxy)-2-hydroxy-Acetic Acid (2-Hydroxybenzoyl)azanyl Ester
DTXSID101370861AKOS006293238AB22745DB03667DB-255851HY-168766NS00068865Q27094583
Database identifiers
- CAS
199854-00-7- PubChem CID
- 445302
- DTXSID
DTXSID101370861- Nikkaji
- J909.702C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Density
- 1.317 · 1.317±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 25 mg/ml · ≤25mg/ml in ethanol;50mg/ml in DMSO;30mg/ml in dimethyl formamide
- pka
- 8.003 · 8.003±0.30(predicted)
- form
- Solid
- color
- Cyrstalline
Chemistry & industry
Applications
UsesAn irreversible, non-selective inhibitor of COX-1 and COX-2.
Suppliers11 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [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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