Basic information
- CAS
37681-00-8- Standard SMILES
CCc1oc2ccccc2c1CC1=NCCN1- InChIKey
QZRIKRJFJVVUSF-UHFFFAOYSA-N- Molecular formula
- C14H16N2O
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.12626314
Overview
Coumazoline is a small molecule drug. The usage of the INN stem '-azoline' in the name indicates that Coumazoline is a antihistaminic or local vasoconstrictor, antazoline derivative. Coumazoline has a monoisotopic molecular weight of 228.13 Da.
Names & identifiers
- Preferred name
- 2-((2-Ethyl-3-benzofuranyl)methyl)-4,5-dihydro-1H-imidazole
- IUPAC
- 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazole
- English name
- Coumazoline
- Molecular formula
- C14H16N2O
- Molecular weight
- 228.29
Names & synonyms
CoumazolineCumazolina37681-00-8CoumazolinumL 5818 FREE BASEL-5818 FREE BASETR7Y641235DTXSID501911142-(2-Ethyl-3-benzofurylmethyl)imidazol-2-ineRefChem:908972DTXCID601136052-((2-Ethyl-3-benzofuranyl)methyl)-4,5-dihydro-1H-imidazole
Show more names
L-5818Galenyl2-[(2-Ethylbenzofuran-3-yl)methyl]-2-imidazoline1H-Imidazole, 2-[(2-ethyl-3-benzofuranyl)methyl]-4,5-dihydro-
Coumazoline [INN]2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazoleCoumazolinum [INN-Latin]Cumazolina [INN-Spanish]2-((2-Ethylbenzofuran-3-yl)methyl)-2-imidazolineUNII-TR7Y641235L 5818orb1740146
Database identifiers
- CAS
37681-00-8- PubChem CID
- 37808
- DTXSID
DTXSID50191114- ChEMBL
CHEMBL2106000- UNII
- TR7Y641235
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 37.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- FDA UNII
- 7 Y641235 · TR7Y641235
Chemistry & industry
Suppliers3 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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