Grundinformationen
- Standard-SMILES
CCCCCN(CCCCC)C(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1- InChIKey
IEKOTSCYBBDIJC-UHFFFAOYSA-N- Summenformel
- C22H32Cl2N2O4
- Durchschnittliche Molmasse
- 459,4 g/mol
- Monoisotopische Masse
- 458,17391286
Überblick
N(2)-(3,4-dichlorobenzoyl)-N,N-dipentyl-alpha-glutamine is a dicarboxylic acid monoamide obtained by formal condensation of the alpha-carboxy group of N-(3,4-dichlorobenzoyl)glutamic acid with the amino group of dipentylamine. It is a member of benzamides, a dichlorobenzene, a glutamic acid derivative and a dicarboxylic acid monoamide.
Namen und Bezeichner
- Bevorzugter Name
- Lorglumide
- IUPAC
- 4-[(3,4-dichlorobenzoyl)amino]-5-(dipentylamino)-5-oxopentanoic acid
- Englischer Name
- LORGLUMIDE
- Summenformel
- C22H32Cl2N2O4
- Molmasse
- 459.41
Namen und Synonyme
Lorglumide97964-56-2LorglumidaLorglumidumCR-1409LAD1UQ73BEDTXSID2046961D,L-4-(3,4-Dichlorobenzoylamino)-5-(dipentylamino)-5-oxo-pentanoic acid4-((3,4-dichlorobenzoyl)amino)-5-(dipentylamino)-5-oxopentanoic acid4-[(3,4-dichlorobenzoyl)amino]-5-(dipentylamino)-5-oxopentanoic acidRefChem:924930DTXCID0026961
Weitere Namen anzeigen
cr1409IEKOTSCYBBDIJC-UHFFFAOYSA-NLORGLUMIDE SODIUM SALT (CR 1409) NON-PEP TIDE CCK ANTAGd,l-4-(3,4-dichlorobenzoylamino)-5-(dipentylamino)-5-oxo-pentanoicacid4-dichlorobenzoyl)amino)-5-(dipentylamino)-5-oxo-4-(((+-)-pentanoicaciPentanoic acid, 4-[(3,4-dichlorobenzoyl)amino]-5-(dipentylamino)-5-oxo-(±)-4-[(3,4-dichlorobenzoyl)amino]-5-(dipentylamino)-5-oxopentanoic acid sodium saltCR 1409, (±)-4-[(3,4-Dichlorobenzoyl)amino]-5-(dipentylamino)-5-oxopentanoic acid sodium salt
CHEBI:88305Lorglumide [INN]CHEMBL24938CR 1409Lorglumidum [Latin]Lorglumida [Spanish]Pentanoic acid,4-[(3,4-dichlorobenzoyl)amino]-5-(dipentylamino)-5-oxo-C22H32Cl2N2O4
Datenbank-Bezeichner
- CAS
97964-56-2- PubChem CID
- 3960
- DTXSID
DTXSID2046961- ChEMBL
CHEMBL24938- ChEBI
CHEBI:88307- UNII
- LAD1UQ73BE
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,5
- Polarare Oberfläche (TPSA)
- 86,7 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 14
- Schwere Atome
- 30
- Formalladung
- 0
- Komplexität
- 537
Physikochemische Eigenschaften
- Siedepunkt
- 621.4 · 621.4±55.0 °C(Predicted)
- Dichte
- 1.195 · 1.195±0.06 g/cm3(Predicted)
- Löslichkeit
- 45 % · 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: >10 mg/mL
- pka
- 4.47 · 4.47±0.10(Predicted)
- Aggregatzustand
- solid
- Farbe
- white
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- 2
- RTECS-Nr.
- SA3680700
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationChemical substances which inhibit the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites.
Anwendungen
VerwendenLorglumide is a specific cholecytokinin receptor antagonist. It is also an intermediate in synthesizing Lorglumide Sodium Salt (L469910), a nonpeptidic antagonist of the CCK A receptor, and minimally effective at the CCK B receptor. It blocks CCK -mediated muscle contraction, pancreatic growth and secretion.
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