Trequinsin
Grundinformationen
- CAS
79855-88-2- Standard-SMILES
COc1cc2c(cc1OC)-c1cc(=Nc3c(C)cc(C)cc3C)n(C)c(=O)n1CC2- InChIKey
MCMSJVMUSBZUCN-UHFFFAOYSA-N- Summenformel
- C24H27N3O3
- Durchschnittliche Molmasse
- 405,5 g/mol
- Monoisotopische Masse
- 405,20524173
Überblick
9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is a pyridopyrimidine.
Namen und Bezeichner
- Bevorzugter Name
- Trequinsin
- IUPAC
- 9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
- Englischer Name
- Trequinsin
- Summenformel
- C24H27N3O3
- Molmasse
- 405.49
Namen und Synonyme
trequinsin79855-88-2TrequinsineTrequinsinumtrequinsina739I2958C1DTXSID20484582,3,6,7-tetrahydro-9,10-dimethoxy-3-methyl-2-((2,4,6-trimethylphenyl)imino)-4H-pyrimido(6,1-a)isoquinolin-4-one, monohydrochloride9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido(4,3-a)isoquinolin-4-one9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[4,3-a]isoquinolin-4-oneRefChem:190767DTXCID2028432
Weitere Namen anzeigen
2,3,6,7-Tetrahydro-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-4H-pyrimido[6,1-a]isoquinolin-4-one2-[(2,4,6-Trimethylphenyl)imino]-3-methyl-9,10-dimethoxy-2,3,6,7-tetrahydro-4H-pyrimido[6,1-a]isoquinoline-4-one4H-Pyrimido[6,1-a]isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-
HL-725Trequinsin [INN]9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-oneCHEMBL2859132,3,6,7-Tetrahydro-2-(mesitylimino)-9,10-dimethoxy-3-methyl-4H-pyrimido(6,1-a)isoquinolin-4-oneTrequinsine [INN-French]Trequinsinum [INN-Latin](2E)-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-2,3,6,7-tetrahydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Datenbank-Bezeichner
- CAS
79855-88-2- PubChem CID
- 5537
- DTXSID
DTXSID50861007- ChEMBL
CHEMBL1411581、CHEMBL285913、CHEMBL588593- ChEBI
CHEBI:93477- UNII
- 739I2958C1
- Nikkaji
- J32.513I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,9
- Polarare Oberfläche (TPSA)
- 54,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 30
- Formalladung
- 0
- Komplexität
- 708
Physikochemische Eigenschaften
- Schmelzpunkt
- 151 · 151-152 °C
- Siedepunkt
- 593.2 · 593.2±60.0 °C(Predicted)
- Dichte
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 8.99 · 8.99±0.20(Predicted)
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
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