SM 6586
Grundinformationen
- CAS
103898-38-0- Standard-SMILES
COC(=O)C1=C(C)NC(C)=C(c2nc(CN(C)Cc3ccccc3)no2)C1c1cccc([N+](=O)[O-])c1- InChIKey
HHVCXSOKQHQGFB-UHFFFAOYSA-N- Summenformel
- C26H27N5O5
- Durchschnittliche Molmasse
- 489,5 g/mol
- Monoisotopische Masse
- 489,20121898
Überblick
structure given in first source; inhibits calcium-induced heart contraction; reduces blood pressure in SHR rats; prevents the development of stroke in SHRSP rats
Namen und Bezeichner
- Bevorzugter Name
- SM 6586
- IUPAC
- methyl 5-[3-[[benzyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
- Englischer Name
- SM 6586
- Summenformel
- C26H27N5O5
- Molmasse
- 489.52
Namen und Synonyme
SM-6586103898-38-0SM 65863-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(3-((methyl(phenylmethyl)amino)methyl)-1,2,4-oxadiazol-5-yl)-4-(3-nitrophenyl)-, methyl esterRefChem:183383Methyl 1,4-dihydro-2,6-dimethyl-3-(3-N-benzyl-N-methylaminomethyl-1,2,4-oxadiazolyl-5-yl)-4-(3-nitrophenyl)pyridine-5-carboxylatemethyl 5-(3-((benzyl(methyl)amino)methyl)-1,2,4-oxadiazol-5-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylateMethyl 5-[3-[[benzyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-[3-[[methyl(phenylmethyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-4-(3-nitrophenyl)-, methyl ester;3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-[3-[[methyl(phenylmethyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-4-(3-nitrophenyl)-, methyl esterorb1706622SCHEMBL7308471SCHEMBL30358017
Weitere Namen anzeigen
SM6586,SM 65863-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-[3-[[methyl(phenylmethyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-4-(3-nitrophenyl)-, methyl ester
HHVCXSOKQHQGFB-UHFFFAOYSA-NDEA89838AKOS040742636CS-6798DA-77890HY-19062T168973-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(3-((methyl(phenylemthyl)amino)methyl)-1,2,4-oxadiazol-5-yl)-4-(3-nitrophenyl)-, methyl ester
Datenbank-Bezeichner
- CAS
103898-38-0- PubChem CID
- 128443
- Nikkaji
- J463.664C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- Polarare Oberfläche (TPSA)
- 126 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 36
- Formalladung
- 0
- Komplexität
- 878
Physikochemische Eigenschaften
- Schmelzpunkt
- 127 · 127-128 °C
- Siedepunkt
- 624 · 624.0±65.0 °C(Predicted)
- Dichte
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- Soluble in DMSO
- pka
- 5.1 · 5.10±0.50(Predicted)
Chemie und Industrie
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