Basic information
- CAS
5090-37-9- Standard SMILES
Cc1sc2ccccc2c1CC1=NCCN1.Cl- InChIKey
FPTJVMYMFXHIFO-UHFFFAOYSA-N- Molecular formula
- C13H15ClN2S
- Average molar mass
- 266.79 g/mol
- Monoisotopic mass
- 266.0644474
Overview
See also: Metizoline (has active moiety).
Names & identifiers
- Preferred name
- Metizoline Hydrochloride
- IUPAC
- 2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride
Names & synonyms
Metizoline hydrochloride5090-37-9Metizoline HClEllsylRMI 10,482AMetizoline hydrochloride [USAN]EX 10-781EINECS 225-811-9H 1032UNII-PU364U720ZEllsyl (TN)PU364U720Z
Show more names
RMI-10482AEX-10-781Metizoline hydrochloride (USAN)RMI 1O,482ADTXSID001989312-((2-Methylbenzo(b)thien-3-yl)methyl)-2-imidazoline hydrochloride2-((2-Methylbenzo(b)thien-3-yl)methyl)-2-imidazoline monohydrochloride2-Methyl-3-(delta(sup 2)-imidazolinylmethyl)benzo(b)thiophene hydrochloride
Database identifiers
- CAS
5090-37-9- PubChem CID
- 68629
- DTXSID
DTXSID00198931- ChEMBL
CHEMBL2106879- UNII
- PU364U720Z
- EC Number
- 225-811-9
Properties
Computed structural properties
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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