DES(2-methylbutanoyl)pravastatin
Grundinformationen
- CAS
151006-03-0- Standard-SMILES
C[C@H]1C=CC2=C[C@@H](O)C[C@H](O)[C@@H]2[C@H]1CC[C@@H](O)C[C@@H](O)CC(=O)O- InChIKey
ZDADMCPDUNEBIX-CGDZNSRRSA-N- Summenformel
- C18H28O6
- Durchschnittliche Molmasse
- 340,4 g/mol
- Monoisotopische Masse
- 340,18858861
Überblick
(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid is a 3-hydroxy carboxylic acid that is (3R,5R)-3,5-dihydroxyheptanoic acid in which one of the methyl hydrogens is substituted by a (1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl group. It is a secondary allylic alcohol, a member of hexahydronaphthalenes and a 3-hydroxy carboxylic acid.
Namen und Bezeichner
- Bevorzugter Name
- DES(2-methylbutanoyl)pravastatin
- IUPAC
- (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
- Englischer Name
- Des(2-Methylbutyryl) Pravastatin
- Summenformel
- C18H28O6
- Molmasse
- 340.41
Namen und Synonyme
151006-03-0DES(2-methylbutanoyl)pravastatinUNII-4I60PGP691(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid4I60PGP691Pravastatin sodium specified impurity F [EP](3R,5R)-7-((1S,2S,6S,8S,8aR)-6,8-Dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoic acidCHEBI:63655DTXSID801646941-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-beta,delta,6,8-tetrahydroxy-2-methyl-, (betaR,deltaR,1S,2S,6S,8S,8aR)-PRAVASTATIN SODIUM IMPURITY F [EP IMPURITY]1-NAPHTHALENEHEPTANOIC ACID, 1,2,6,7,8,8A-HEXAHYDRO-.BETA.,.DELTA.,6,8-TETRAHYDROXY-2-METHYL-, (.BETA.R,.DELTA.R,1S,2S,6S,8S,8AR)-
Weitere Namen anzeigen
Pravastatin IMpurity FPravastatin Sodium EP Impurity FDes(2-methylbutyryl) Pravastatin DiscontinuedPravastatin Impurity 6（Pravastatin EP Impurity F）1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-β,δ,6,8-tetrahydroxy-2-methyl-, (βR,δR,1S,2S,6S,8S,8aR)-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 118 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 500
Physikochemische Eigenschaften
- Siedepunkt
- 636.9 · 636.9±55.0 °C(Predicted)
- Dichte
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 4.31 · 4.31±0.10(Predicted)
Chemie und Industrie
Anwendungen
VerwendenProvastatin (P702000) impurity, a novel HMG-CoA reductase inhibitor.
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