Ulimorelin hydrochloride
Grundinformationen
- CAS
951326-02-6- Standard-SMILES
C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1.Cl.O- InChIKey
ZWIXEQBDJMFCMN-DHHNQDMHSA-N- Summenformel
- C30H42ClFN4O5
- Durchschnittliche Molmasse
- 593,1 g/mol
- Monoisotopische Masse
- 592,2827763
Überblick
Ulimorelin Hydrochloride is the hydrochloride salt form of ulimorelin, a macrocyclic ghrelin peptidomimetic, with potential gastrointestinal (GI) prokinetic activity. Upon intravenous administration, ulimorelin binds to the ghrelin receptor in the GI tract and may stimulate GI motility. Ghrelin is a natural ligand for growth hormone secretagogue receptors and is normally localized in the proximal GI tract. The ghrelin receptor signaling pathway mediates multiple GI functions, including motility and gastric emptying.
Namen und Bezeichner
- Bevorzugter Name
- Ulimorelin hydrochloride
- IUPAC
- (3R,6S,9R,12R)-6-cyclopropyl-12-[(4-fluorophenyl)methyl]-3,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;hydrate;hydrochloride
Namen und Synonyme
Ulimorelin hydrochloride951326-02-6Ulimorelin hydrochloride hydrateUlimorelin hydrochloride [USAN]662MCS79XHUlimorelin hydrochloride monohydrate(3R,6S,9R,12R)-6-cyclopropyl-12-[(4-fluorophenyl)methyl]-3,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;hydrate;hydrochlorideUlimorelin hydrochloride (USAN)CHEMBL1923502UlimorelinHydrochlorideHydrateUNII-662MCS79XHSCHEMBL29432592
Weitere Namen anzeigen
DTXSID70241766D09982ULIMORELIN HYDROCHLORIDE MONOHYDRATE [MI]ULIMORELIN HYDROCHLORIDE MONOHYDRATE [WHO-DD]Q27263940(2R,5S,8R,11R)-5-CYCLOPROPYL-11-((4-FLUOROPHENYL)METHYL)-2,7,8-TRIMETHYL- 2,3,4,5,7,8,10,11,13,14,15,16-DODECAHYDRO-6H-1,4,7,10,13- BENZOXATETRAAZACYCLOOCTADECINE-6,9,12-TRIONE HYDROCHLORIDE MONOHYDRATE(2R,5S,8R,11R)-5-cyclopropyl-11-((4-fluorophenyl)methyl)-2,7,8-trimethyl-2,3,4,5,7,8,10,11,13,14,15,16-dodecahydro-6H-1,4,7,10,13- benzoxatetraazacyclooctadecine-6,9,12-trione hydrochloride monohydrate(2R,5S,8R,11R)-5-Cyclopropyl-11-[(4-fluorophenyl)methyl]-2,7,8-trimethyl-4,5,7,8,10,11,13,14,15,16-decahydro-2H-1,4,7,10,13-benzoxatetraazacyclooctadecine-6,9,12(3H)-trione--hydrogen chloride--water (1/1/1)
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 101 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 41
- Formalladung
- 0
- Komplexität
- 832
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