CAS 68550-75-4 Cilostamide (HCID 2753)

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 68550-75-4
Standard-SMILES: CN(C(=O)CCCOc1ccc2[nH]c(=O)ccc2c1)C1CCCCC1
InChIKey: UIAYVIIHMORPSJ-UHFFFAOYSA-N
Summenformel: C20H26N2O3
Durchschnittliche Molmasse: 342,4 g/mol
Monoisotopische Masse: 342,19434269

Überblick

N-cyclohexyl-N-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide is a member of quinolines.

Namen und Bezeichner

Bevorzugter Name: Cilostamide
IUPAC: N-cyclohexyl-N-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide
Englischer Name: CILOSTAMIDE
Summenformel: C20H26N2O3
Molmasse: 342.43

Namen und Synonyme

cilostamide68550-75-4N-Cyclohexyl-N-methyl-4-(1,2-dihydro-2-oxo-6-quinolyloxy)butyramideCilostamidumCilostamidaOPC-3689DTXSID3045140N-Cyclohexyl-N-methyl-4-((2-oxo-1,2-dihydroquinolin-6-yl)oxy)butanamideN-Cyclohexyl-4-((1,2-dihydro-2-oxo-6-quinolyl)oxy)-N-methylbutyramideN-cyclohexyl-N-methyl-4-[(2-oxo-1,2-dihydroquinolin-6-yl)oxy]butanamide45S5605Q18DTXCID1025140

Weitere Namen anzeigen

OCP 3689ciloalaMideCilostamide,OPC 3689Cilostamide, 10 mM in DMSOCilostamide, PDE3 inhibitorCilostamide - CAS 68550-75-4 - CalbiochemN-cyclohexyl-4-[(2-hydroxyquinolin-6-yl)oxy]-N-methylbutanamide6-[3-(N-Cyclohexyl-N-methylcarbamoyl)propoxy]quinolin-2[1H]-one

Butanamide, N-cyclohexyl-4-((1,2-dihydro-2-oxo-6-quinolinyl)oxy)-N-methyl-RefChem:126145Cilostamide [INN]OPC 3689N-cyclohexyl-N-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamideMFCD00673958CHEMBL34431NCGC00015269-03

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 58,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 6
Schwere Atome: 25
Formalladung: 0
Komplexität: 499

Physikochemische Eigenschaften

Schmelzpunkt: 186 · 186~188℃
Siedepunkt: 594.3 · 594.3±50.0 °C(Predicted)
Dichte: 1.18 · 1.18±0.1 g/cm3(Predicted)
storage temp.: 0 · 0-6°C
Löslichkeit: Soluble in DMSO (up to 30 mg/ml).
pka: 11.12 · 11.12±0.70(Predicted)
Aggregatzustand: White solid
Farbe: White
Stabilität: 1 year · Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20° for up to 3 months.
Kosmetik-Inhaltsstoffe Funktionen: SKIN PROTECTING
InChI: 1S/C20H26N2O3/c1-22(16-6-3-2-4-7-16)20(24)8-5-13-25-17-10-11-18-15(14-17)9-12-19(23)21-18/h9-12,14,16H,2-8,13H2,1H3,(H,21,23)
InChIKey: UIAYVIIHMORPSJ-UHFFFAOYSA-N
SMILES: [nH]1c2c(cc[c]1=O)cc(cc2)OCCCC(=O)N(C3CCCCC3)C

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk: 3
ridadr: 3249
hazard_class: 6.1(b)
packing_group: III
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

Compounds which inhibit or antagonize the biosynthesis or actions of phosphodiesterases.

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.