Isomazole
Basic information
- CAS
86315-52-8- Standard SMILES
COc1cc(S(C)=O)ccc1-c1nc2ccncc2[nH]1- InChIKey
JQUKCPUPFALELS-UHFFFAOYSA-N- Molecular formula
- C14H13N3O2S
- Average molar mass
- 287.34 g/mol
- Monoisotopic mass
- 287.07284784
Overview
2-(2-methoxy-4-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine is a member of imidazoles.
Names & identifiers
- Preferred name
- Isomazole
- IUPAC
- 2-(2-methoxy-4-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine
- English name
- Isomazole
- Molecular formula
- C14H13N3O2S
- Molecular weight
- 0
Names & synonyms
ISOMAZOLE86315-52-8IsomazolIsomazolumL8O2GV23DC2-(2-Methoxy-4-(methylsulfinyl)phenyl)-1H-imidazo(4,5-c)pyridineDTXSID30207541H-Imidazo(4,5-c)pyridine, 2-(2-methoxy-4-(methylsulfinyl)phenyl)-RefChem:1495352-MMPIPDTXCID90754Isomazole [INN]
Show more names
2-(2-methoxy-4-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine323MHb;IsosulmazoleIsosulmazoleIsomazol [Spanish]Isomazolum [Latin]UNII-L8O2GV23DC86315-52-8 (free base)SCHEMBL145963
Database identifiers
- CAS
86315-52-8- PubChem CID
- 55690
- DTXSID
DTXSID3020754- ChEMBL
CHEMBL2110680- ChEBI
CHEBI:91691- UNII
- L8O2GV23DC
- Nikkaji
- J34.732I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 368
Experimental & physicochemical properties
LogP1.23
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 O2GV23DC · L8O2GV23DC
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents that have a strengthening effect on the heart or that can increase cardiac output. They may be CARDIAC GLYCOSIDES; SYMPATHOMIMETICS; or other drugs. They are used after MYOCARDIAL INFARCT; CARDIAC SURGICAL PROCEDURES; in SHOCK; or in congestive heart failure (HEART FAILURE).
Compounds which inhibit or antagonize the biosynthesis or actions of phosphodiesterases.
Applications
UsesCardiotonic.
Additional notes
DefinitionChEBI: 2-(2-methoxy-4-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine is a member of imidazoles.
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Related reactions
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Compound notes
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