p-Hydroxyatorvastatin lactone
Grundinformationen
- CAS
163217-70-7- Standard-SMILES
CC(C)c1c(C(=O)Nc2ccc(O)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1- InChIKey
KDJMDZSAAFACAM-KAYWLYCHSA-N- Summenformel
- C33H33FN2O5
- Durchschnittliche Molmasse
- 556,6 g/mol
- Monoisotopische Masse
- 556,23735032
Überblick
P-Hydroxyatorvastatin lactone is a member of pyrroles.
Namen und Bezeichner
- Bevorzugter Name
- p-Hydroxyatorvastatin lactone
- IUPAC
- 5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N-(4-hydroxyphenyl)-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide
- Englischer Name
- P-HYDROXY ATORVASTATIN LACTONE
- Summenformel
- C33H33FN2O5
- Molmasse
- 556.62
Namen und Synonyme
P-HYDROXYATORVASTATIN LACTONEp-Hydroxy atorvastatin lactoneUNII-1316I46GEX1316I46GEXDTXSID90167535(2R-Trans)-5-(4-fluorophenyl)-2-(1-methylethyl)-N-(4-hydroxyphenyl)-4-phenyl-1-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)-ethyl)-1H-pyrrole-3-carboxamide1H-Pyrrole-3-carboxamide, 5-(4-fluorophenyl)-N-(4-hydroxyphenyl)-2-(1-methylethyl)-4-phenyl-1-(2-((2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1H-Pyrrole-3-carboxamide, 5-(4-fluorophenyl)-N-(4-hydroxyphenyl)-2-(1-methylethyl)-4-phenyl-1-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-, (2R-trans)-(2R-trans)-5-(4-fluorophenyl)-2-(1-methylethyl)-N-(4-hydroxyphenyl)-4-phenyl-1-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)-ethyl]-1H-pyrrole-3-carboxamide1H-Pyrrole-3-carboxamide, 5-(4-fluorophenyl)-N-(4-hydroxyphenyl)-2-(1-methylethyl)-4-phenyl-1-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-RefChem:169327DTXCID7090026
Weitere Namen anzeigen
Atorvastatin Impurity 1084-Hydroxy Atorvastatin Lactone (EP)
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,4
- Polarare Oberfläche (TPSA)
- 101 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 41
- Formalladung
- 0
- Komplexität
- 866
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Metabolite of Atorvastatin
Physikochemische Eigenschaften
- Schmelzpunkt
- 103 · 103-106°C
- storage temp.
- -20 °C · -20°C Freezer
- Löslichkeit
- DMSO: Soluble; Methanol: Slightly soluble
- Aggregatzustand
- A solid
- CAS Datenbank
- 163217 · 163217-70-7
Chemie und Industrie
Anwendungen
VerwendenA metabolite of Atorvastin, a selective, competitive HMG-CoA reductase inhibitor. Atorvastin is the only drug in its class specfically indicated for lowering both elevated LDL-cholesterol and triglycerides in patients with hypercholesterolemia
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