Benclonidine
Basic information
- CAS
57647-79-7- Standard SMILES
O=C(c1ccccc1)N1CCN=C1Nc1c(Cl)cccc1Cl- InChIKey
YHEMKMZUJKPOCO-UHFFFAOYSA-N- Molecular formula
- C16H13Cl2N3O
- Average molar mass
- 334.2 g/mol
- Monoisotopic mass
- 333.0435674
Overview
Benclonidine is a small molecule drug. The usage of the INN stem '-nidine' in the name indicates that Benclonidine is a a2 adrenoreceptor agonist. Benclonidine has a monoisotopic molecular weight of 333.04 Da.
Names & identifiers
- Preferred name
- Benclonidine
- IUPAC
- [2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-phenylmethanone
- English name
- Benclonidine
- Molecular formula
- C16H13Cl2N3O
- Molecular weight
- 334.2
Names & synonyms
Benclonidine57647-79-7Benclonidine [INN]BenclonidinoBenclonidinumBenclonidinum [INN-Latin]Benclonidino [INN-Spanish]benclonidina1-Benzoyl-2-(2,6-dichloroanilino)-2-imidazolineUNII-1999398A3P1-Benzoyl-2-(2',6'-dichlorophenylamino)-2-imidazoline1999398A3P
Show more names
(2-((2,6-dichlorophenyl)amino)-4,5-dihydro-1H-imidazol-1-yl)(phenyl)methanoneMethanone, [2-[(2,6-dichlorophenyl)amino]-4,5-dihydro-1H-imidazol-1-yl]phenyl-
DTXSID402063474,5-Dihydro-1-benzoyl-N-(2,6-dichlorophenyl)-1H-imidazol-2-amine1H-Imidazol-2-amine, 4,5-dihydro-1-benzoyl-N-(2,6-dichlorophenyl)-Benclonidinum (INN-Latin)Benclonidino (INN-Spanish)RefChem:116964DTXCID40128838[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-phenylmethanone
Database identifiers
- CAS
57647-79-7- PubChem CID
- 68774
- DTXSID
DTXSID40206347- ChEMBL
CHEMBL3989722- UNII
- 1999398A3P
- Nikkaji
- J11.863J
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 427
Physicochemical properties
- Boiling point
- 450.2 · 450.2±55.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 1.55 · 1.55±0.70(Predicted)
- FDA UNII
- 1999398 A3P · 1999398A3P
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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