Carmoxirole hydrochloride
Grundinformationen
- CAS
115092-85-8- Standard-SMILES
Cl.O=C(O)c1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1- InChIKey
LRJUHOBITQUXIO-UHFFFAOYSA-N- Summenformel
- C24H27ClN2O2
- Durchschnittliche Molmasse
- 410,9 g/mol
- Monoisotopische Masse
- 410,1761058
Überblick
Carmoxirole hydrochloride is a hydrochloride salt obtained by reaction of carmoxirole with one equivalent of hydrochloric acid. Selective, peripherally acting dopamine D2 receptor agonist. Modulates noradrenalin release and sympathetic activation. Displays antihypertensive properties in vivo. It has a role as an antihypertensive agent, a platelet aggregation inhibitor and a dopamine agonist. It contains a carmoxirole(1+).
Namen und Bezeichner
- Bevorzugter Name
- Carmoxirole hydrochloride
- IUPAC
- 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole-5-carboxylic acid;hydrochloride
- Englischer Name
- 1H-Indole-5-carboxylic acid, 3-[4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl]-, hydrochloride (1:1)
- Summenformel
- C24H26N2O2.ClH
- Molmasse
- 410.94
Namen und Synonyme
carmoxirole hydrochloride115092-85-8UNII-77K7K97CBSEMD-4560977K7K97CBS1H-Indole-5-carboxylic acid, 3-(4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-, hydrochloride (1:1)DTXSID4042595CHEBI:64199CARMOXIROLE HYDROCHLORIDE [MI]1H-Indole-5-carboxylic acid, 3-[4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl]-, hydrochloride (1:1)1-[4-(5-carboxy-1H-indol-3-yl)butyl]-4-phenyl-1,2,3,6-tetrahydropyridinium chloride3-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl]-1H-indole-5-carboxylic acid hydrochloride
Weitere Namen anzeigen
Carmoxirole HClEMD 45609 hydrochlorideCarmoxirole hydrochloride, 10 mM in DMSOinhibit,Carmoxirole,Dopamine Receptor,Carmoxirole hydrochloride,Inhibitor,EMD-45609,EMD 45609,EMD45609
1-(4-(5-carboxy-1H-indol-3-yl)butyl)-4-phenyl-1,2,3,6-tetrahydropyridinium chloride3-(4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl)-1H-indole-5-carboxylic acid hydrochlorideRefChem:123750DTXCID2022595NOCAS_42595Carmoxirole (hydrochloride)3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole-5-carboxylic acid;hydrochlorideNCGC00092328-01
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 56,3 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 555
Physikochemische Eigenschaften
- Schmelzpunkt
- 298 · 298-299°
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- 100 mM · Soluble to 100 mM in DMSO
- Aggregatzustand
- Powder
- Farbe
- Yellow to brown
Chemie und Industrie
Anbieter19 Anbieter
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BOC Sciences[email protected]
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