Levcromakalim

HCID 93504CAS 94470-67-4

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Grundinformationen

Standard-SMILES: CC1(C)Oc2ccc(C#N)cc2[C@@H](N2CCCC2=O)[C@@H]1O
InChIKey: TVZCRIROJQEVOT-CABCVRRESA-N
Summenformel: C16H18N2O3
Durchschnittliche Molmasse: 286,33 g/mol
Monoisotopische Masse: 286,13174244

Namen und Bezeichner

Bevorzugter Name: Levcromakalim
IUPAC: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile
Englischer Name: LEVCROMAKALIM
Summenformel: C16H18N2O3
Molmasse: 286.33

Namen und Synonyme

Levcromakalim94535-50-9(-)-CromakalimBRL-38227DTXSID5045677RW7PN4BLDJ2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-, (3S,trans)-(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromane-6-carbonitrileDTXCID3025677levcromakalimumBRL38227RefChem:924700

Weitere Namen anzeigen

Brn 3622889levcromakelimLevkroMakaliM(3s-trans)-yrrolidinyl)Levcromakalim, 10 mM in DMSOLevcromakalim, KATP channel activatorPotassium Channel,KcsA,Inhibitor,inhibit,BRL38227,BRL-38227,Levcromakalim

LemakalimBRL 38227BRL 34915CHEMBL100MLS000069770(3S,4R)-3-Hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-6-chromancarbonitrile(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile(+/-)-cromakalim

Datenbank-Bezeichner

CAS: 94470-67-4、94535-50-9
PubChem CID: 93504
DTXSID: DTXSID5045677
ChEMBL: CHEMBL100、CHEMBL11684
ChEBI: CHEBI:6436
UNII: 0G4X367WA3、RW7PN4BLDJ
Nikkaji: J257.580I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 73,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 21
Formalladung: 0
Komplexität: 481

Physikochemische Eigenschaften

Schmelzpunkt: 242 · 242-244°
Siedepunkt: 482.3 · 482.3±45.0 °C(Predicted)
Dichte: 1.31 · 1.31±0.1 g/cm3(Predicted)
storage temp.: Store at RT
Löslichkeit: 10 mM, · DMSO: ≤10 mM, soluble
Aggregatzustand: solid
pka: 13.18 · 13.18±0.60(Predicted)
Farbe: White to off-white

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk: 3
RTECS-Nr.: DJ2177500
safety_code: 22-24/25

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 4 Einträge

Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.

Agents that cause an increase in the expansion of a bronchus or bronchial tubes.

Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS.

Drugs used to cause dilation of the blood vessels.