Basic information
- CAS
363-13-3- Standard SMILES
O=c1nc2cccccc-2n1Cc1ccccc1- InChIKey
PUDJZXFLQHLFGS-UHFFFAOYSA-N- Molecular formula
- C15H12N2O
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.09496301
Overview
Benhepazone is a small molecule drug. The usage of the INN stem '-azone' in the name indicates that Benhepazone is a anti-inflammatory analgesic, phenylbutazone derivative. Benhepazone has a monoisotopic molecular weight of 236.09 Da.
Names & identifiers
- Preferred name
- Benhepazone
- IUPAC
- 1-benzylcyclohepta[d]imidazol-2-one
- English name
- Benhepazone
- Molecular formula
- C15H12N2O
- Molecular weight
- 236.273
Names & synonyms
Benhepazone363-13-3BenhepazonumBenhepazonaBenhepazone [INN]RCH 314RCH-314Benhepazonum [INN-Latin]Benhepazona [INN-Spanish]Benzylcycloheptimidazol-2(1H)-one1-Benzyl-2(1H)-cycloheptimidazoloneNBB4EM8UXC
Show more names
1-(benzyl)cyclohepta[d]imidazol-2-one1-Benzyl-1h,2h-cyclohepta[d]imidazol-2-one1-(phenylmethyl)cyclohepta[d]imidazol-2-one1-(Phenylmethyl)cycloheptimidazol-2(1H)-one
UNII-NBB4EM8UXCBRN 06134881-Benzyl-1,2-dihydro-2-cycloheptimidazolon2(1H)-Cycloheptimidazolone, 1-(phenylmethyl)-2(1H)-CYCLOHEPTIMIDAZOLONE, 1-BENZYL-DTXSID50189834Benhepazonum (INN-Latin)Benhepazona (INN-Spanish)
Database identifiers
- CAS
363-13-3- PubChem CID
- 9689
- DTXSID
DTXSID50189834- ChEMBL
CHEMBL2104035- UNII
- NBB4EM8UXC
- Nikkaji
- J5.700B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 465
Physicochemical properties
- Melting point
- 181 °C · 181°C
- Boiling point
- 378.73 °C · 378.73°C (rough estimate)
- Density
- 1.1099 · 1.1099 (rough estimate)
- refractive index
- 1.5906 · 1.5906 (estimate)
- color
- Pale yellow crystals from MeOH
- FDA UNII
- 4 EM8UXC · NBB4EM8UXC
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Toxicity
- 50 orl-mus: · LD50 orl-mus: 358 mg/kg ARZNAD 18,939,68
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
- Toxicity
- LD50 orl-mus: 358 mg/kg ARZNAD 18,939,68
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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