Oxprenoate
Grundinformationen
- CAS
786592-95-8- Standard-SMILES
CCC[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)CCC(=O)O)[C@H]12- InChIKey
DNHCHRGCTVRAFT-JEHIOXJOSA-N- Summenformel
- C25H38O4
- Durchschnittliche Molmasse
- 402,6 g/mol
- Monoisotopische Masse
- 402,27700969
Überblick
Oxprenoate is a spironolactone derivative and a potent aldosterone antagonist on mineralocorticoid biosynthesis with diuretic activity. As an aldosterone antagonist, oxprenoate may inhibit sodium resorption in the collecting duct and may eventually lead to diuresis.
Namen und Bezeichner
- Bevorzugter Name
- Oxprenoate
- IUPAC
- 3-[(7R,8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-7-propyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid
Namen und Synonyme
Oxprenoate786592-95-8UNII-2JGY63UVRO2JGY63UVRORU2831817-Hydroxy-3-oxo-7alpha-propyl-17alpha-pregn-4-ene-21-carboxylatePregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-7-propyl-,(7alpha,17alpha)-3-[(7R,8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-7-propyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acidPregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-7-propyl-, (7alpha,17alpha)-Oxprenoic acidGTPL3451orb1740781
Weitere Namen anzeigen
SCHEMBL6705626CHEMBL2107003DTXSID90229228DNHCHRGCTVRAFT-JEHIOXJOSA-NRU-28328T68699BRD-K37687387-237-01-7Q27088646
Datenbank-Bezeichner
- CAS
786592-95-8- PubChem CID
- 3034004
- DTXSID
DTXSID90229228- ChEMBL
CHEMBL2107003- UNII
- 2JGY63UVRO
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,2
- Polarare Oberfläche (TPSA)
- 74,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 726
Zugehörige Reaktionen
2
Notizen zur Verbindung
Wird geladen…