Sdz pco 400
Grundinformationen
- CAS
121055-10-5- Standard-SMILES
CC1(C)Oc2ccc(C#N)cc2[C@@H](OC2=CC(=O)CC2)[C@@H]1O- InChIKey
WJBHHTPFTVKZCV-CVEARBPZSA-N- Summenformel
- C17H17NO4
- Durchschnittliche Molmasse
- 299,32 g/mol
- Monoisotopische Masse
- 299,11575802
Überblick
(3S,4R)-3-hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopentenyl)oxy]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile is a 1-benzopyran.
Namen und Bezeichner
- Bevorzugter Name
- Sdz pco 400
- IUPAC
- (3S,4R)-3-hydroxy-2,2-dimethyl-4-(3-oxocyclopenten-1-yl)oxy-3,4-dihydrochromene-6-carbonitrile
- Englischer Name
- PCO 400
- Summenformel
- C17H17NO4
- Molmasse
- 299.32
Namen und Synonyme
121055-10-5Sdz pco 400Sdz pco-400RefChem:9315352H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-3-hydroxy-2,2-dimethyl-4-((3-oxo-1-cyclopenten-1-yl)oxy)-, (3S-trans)-PCO-400PCO 400(3S,4R)-3-hydroxy-2,2-dimethyl-4-(3-oxocyclopenten-1-yl)oxy-3,4-dihydrochromene-6-carbonitrileCompound NB-48-0729SDZ-PCO-400(3S,4R)-3-Hydroxy-2,2-dimethyl-4-((3-oxocyclopent-1-en-1-yl)oxy)chromane-6-carbonitrilesdzpco400
Weitere Namen anzeigen
PCO-400 95+%(-)-(3S,4R)-3,4-Dihydro-3-hydroxy-2,2-dimethyl-4-(3-oxocyclopent-1-enyl-1-oxy)-2H-1-benzpyran-6-carbonitrile[-]-(3S,4R)-3,4-DIHYDRO-3-HYDROXY-2,2-DIMETHYL-4-(3-OXO-CYCLOPENT-1-ENYL-2-OXY)-2H-1-BENZYPYRAN-6-CARBONITRILE(-)-(3S,4R)-3,4-Dihydro-3-hydroxy-2,2-dimethyl-4-(3-oxy-1-cyclopentenyl-2-oxy)-2H-1-benzylpyran-6-carbonitrile2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-3-hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-, (3S,4R)-2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-3-hydroxy-2,2-dimethyl-4-( (3-oxo-1-cyclopenten-1-yl)oxy)- (3S-trans)-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 79,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 544
Physikochemische Eigenschaften
- Siedepunkt
- 496.7 · 496.7±45.0 °C(Predicted)
- Dichte
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- Aggregatzustand
- White to off-white solid
- pka
- 13.09 · 13.09±0.60(Predicted)
Chemie und Industrie
Anwendungen
VerwendenPCO 400 is an analog of comakalim that acts as a selective and potent ATP-sensitive K+ channel opener.
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