Brosotamide
Basic information
- CAS
40912-73-0- Standard SMILES
Cc1cc(Br)cc(C(N)=O)c1O- InChIKey
KEYYFWXKFRRLOZ-UHFFFAOYSA-N- Molecular formula
- C8H8BrNO2
- Average molar mass
- 230.06 g/mol
- Monoisotopic mass
- 228.97384
Overview
Brosotamide is a small molecule drug. Brosotamide has a monoisotopic molecular weight of 228.97 Da.
Names & identifiers
- Preferred name
- Brosotamide
- IUPAC
- 5-bromo-2-hydroxy-3-methylbenzamide
- English name
- Brosotamide
- Molecular formula
- C8H8BrNO2
- Molecular weight
- 230.06
Names & synonyms
Brosotamide5-Bromo-2-hydroxy-3-methylbenzamideBrosotamida5-Bromo-2,3-cresotamideBrosotamide [INN:DCF]BrosotamidumBrosotamidum [INN-Latin]Brosotamida [INN-Spanish]5-Brom-2-hydroxy-3-toluylamidUNII-49NMI30XY2BRN 209196749NMI30XY2
Show more names
5-bromo-2-hydroxy-3-methyl-benzoic acid amide
BROSOTAMIDE [INN]BENZAMIDE, 5-BROMO-2-HYDROXY-3-METHYL-DTXSID501939110-10-00-00224 (Beilstein Handbook Reference)Brosotamidum (INN-Latin)Brosotamida (INN-Spanish)RefChem:121674DTXCID90116402
Database identifiers
- CAS
40912-73-0- PubChem CID
- 38706
- DTXSID
DTXSID50193911- ChEMBL
CHEMBL2105538- UNII
- 49NMI30XY2
- Nikkaji
- J16.630H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Experimental & physicochemical properties
LogP2.76
Physicochemical properties
- Boiling point
- 283.1 · 283.1±40.0 °C(Predicted)
- Density
- 1.654 · 1.654±0.06 g/cm3(Predicted)
- pka
- 8.16 · 8.16±0.23(Predicted)
- FDA UNII
- 49 NMI30XY2 · 49NMI30XY2
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Related reactions
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Compound notes
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