Atorvastatin Cyclic (Fluorophenyl) Impurity
Grundinformationen
- CAS
873950-18-6- Standard-SMILES
CC(C)C1(O)N2CCC(CC(O)CC(=O)O)OC2(c2ccc(F)cc2)C2(c3ccccc3)OC12C(=O)Nc1ccccc1- InChIKey
MVZMCOIMLLJPJD-UHFFFAOYSA-N- Summenformel
- C33H35FN2O7
- Durchschnittliche Molmasse
- 590,6 g/mol
Namen und Bezeichner
- Bevorzugter Name
- Atorvastatin Cyclic (Fluorophenyl) Impurity
- IUPAC
- 4-[1-(4-fluorophenyl)-5-hydroxy-2-phenyl-4-(phenylcarbamoyl)-5-propan-2-yl-3,10-dioxa-6-azatricyclo[4.4.0.02,4]decan-9-yl]-3-hydroxybutanoic acid
- Englischer Name
- Atorvastatin Cyclic (Fluorophenyl) Impurity
- Summenformel
- C33H35FN2O7
- Molmasse
- 590.64
Namen und Synonyme
873950-18-6Atorvastatin Cyclic (Fluorophenyl) ImpurityAtorvastatin Cyclic Sodium Salt (Fluorophenyl) Impurity4-(1B-(4-fluorophenyl)-7-hydroxy-7-isopropyl-1a-phenyl-7a-(phenylcarbamoyl)hexahydro-3H-oxireno[2',3':3,4]pyrrolo[2,1-b][1,3]oxazin-3-yl)-3-hydroxybutanoic acidAtorvastatin FX1 ImpuritySCHEMBL12236349FF1712201b-(4-Fluorophenyl)hexahydro-',7-dihydroxy-7-(1-methylethyl)-1a-phenyl-7a-[(phenylamino)carbonyl]-3H-oxireno[3,4]pyrrolo[2,1-b][1,3] oxazine-3-butanoic Acid1b-(4-Fluorophenyl)hexahydro-|A,7-dihydroxy-7-(1-methylethyl)-1a-phenyl-7a-[(phenylamino)carbonyl]-3H-oxireno[3,4]pyrrolo[2,1-b][1,3]oxazine-3-butanoic acid4-[1-(4-fluorophenyl)-5-hydroxy-2-phenyl-4-(phenylcarbamoyl)-5-propan-2-yl-3,10-dioxa-6-azatricyclo[4.4.0.02,4]decan-9-yl]-3-hydroxybutanoic acidCyclic FPHydroxyisopropyl epoxide
Weitere Namen anzeigen
Atorvastatin calcium impurity 13Atorvastatin Cyclic 7-Hydroxy ImpurityAtorvastatin Degradation Product - ATV-FX1(Atorvastatin Epoxy Pyrrole Oxazine 7-hydroxy Analogue)Atorvastatin Cyclic (Fluorophenyl) Sodium Salt ImpurityAtorvastatin Cyclic Calcium Salt (Fluorophenyl) ImpurityAtorvastatin FX1 Impurity/Atorvastatin Epoxy Pyrrolooxazin 7-Hydroxy Analog
Datenbank-Bezeichner
- CAS
873950-18-6- Nikkaji
- J3.534.264H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 132 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 43
- Formalladung
- 0
- Komplexität
- 1.040
Physikochemische Eigenschaften
- Schmelzpunkt
- 157 · 157-161°C
- Siedepunkt
- 785.8 · 785.8±60.0 °C(Predicted)
- Dichte
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- Löslichkeit
- Methanol (Slightly), Water (Slightly)
- Aggregatzustand
- Solid
- pka
- 4.35 · 4.35±0.10(Predicted)
- Farbe
- White to Off-White
- Stabilität
- Hygroscopic
- InChIKey
- MVZMCOIMLLJPJD-UHFFFAOYSA-N
- SMILES
- C(C12C(N3CCC(OC3(C3C=CC(=CC=3)F)C1(C1C=CC=CC=1)O2)CC(O)CC(=O)O)(O)C(C)C)(=O)NC1C=CC=CC=1
Chemie und Industrie
Anwendungen
VerwendenA photodegadation product of Atorvastatin (a cyclic impurity of Atorvastatin).
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