Basic information
- CAS
5090-37-9- Standard SMILES
Cc1sc2ccccc2c1CC1=NCCN1.[Cl-].[H+]- InChIKey
FPTJVMYMFXHIFO-UHFFFAOYSA-N- Molecular formula
- C13H15ClN2S
- Average molar mass
- 266.79 g/mol
- Monoisotopic mass
- 266.0644474
Overview
See also: Metizoline Hydrochloride (preferred); Metizoline (has active moiety).
Names & identifiers
- Preferred name
- hydron;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;chloride
- IUPAC
- hydron;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;chloride
Names & synonyms
NS00123703
Database identifiers
- CAS
5090-37-9- PubChem CID
- 74764005
Properties
Computed structural properties
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…