Besunide
Basic information
- CAS
36148-38-6- Standard SMILES
CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Cc1ccccc1- InChIKey
VCPBYLUDWGYFIQ-UHFFFAOYSA-N- Molecular formula
- C18H22N2O4S
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.13002836
Overview
Besunide is a small molecule drug. Besunide has a monoisotopic molecular weight of 362.13 Da.
Names & identifiers
- Preferred name
- Besunide
- IUPAC
- 4-benzyl-3-(butylamino)-5-sulfamoylbenzoic acid
- English name
- Besunide
- Molecular formula
- C18H22N2O4S
- Molecular weight
- 362.44
Names & synonyms
Besunide36148-38-6Besunide [INN]BesunidaBesunidum [Latin]Besunida [Spanish]BesunidumBesunidum [INN-Latin]Besunida [INN-Spanish]UNII-P70VF8D9JJP70VF8D9JJ4-Benzyl-3-n-butylamino-5-sulfamylbenzoic acid
Show more names
3-Sulfamoyl-4-benzyl-5-(butylamino)benzoic acid3-(Butylamino)-4-phenylmethyl-5-sulfamoylbenzoic acidBenzoic acid, 3-(aminosulfonyl)-5-(butylamino)-4-(phenylmethyl)-
BRN 27835224-Benzyl-3-butylamino-5-sulfamoylbenzoic acid3-(Aminosulfonyl)-4-benzyl-5-(butylamino)-benzoic acidDTXSID10189719Besunidum (Latin)3-(Butylamino)-alpha-phenyl-5-sulfamoyl-p-toluic acidBesunidum (INN-Latin)Besunida (INN-Spanish)
Database identifiers
- CAS
36148-38-6- PubChem CID
- 37386
- DTXSID
DTXSID10189719- ChEMBL
CHEMBL2106072- UNII
- P70VF8D9JJ
- Nikkaji
- J20.259B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 526
Physicochemical properties
- Boiling point
- 620.3 · 620.3±65.0 °C(Predicted)
- Density
- 1.297 · 1.297±0.06 g/cm3(Predicted)
- pka
- 3.2 · 3.20±0.10(Predicted)
- FDA UNII
- 70 VF8D9JJ · P70VF8D9JJ
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Related reactions
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Compound notes
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