Grundinformationen
- Standard-SMILES
COC(=O)c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1- InChIKey
RNXQZVFWKIPEOJ-UHFFFAOYSA-N- Summenformel
- C20H16FNO2
- Durchschnittliche Molmasse
- 321,3 g/mol
- Monoisotopische Masse
- 321,11650697
Namen und Bezeichner
- Bevorzugter Name
- Methyl 2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carboxylate
- IUPAC
- methyl 2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carboxylate
- Englischer Name
- Methyl 4-(4'-fluorophenyl)-2-(cyclopropyl)-3-quinolinecarboxylate
- Summenformel
- C20H16FNO2
- Molmasse
- 321.34
Namen und Synonyme
121659-86-7Methyl 2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carboxylate4-(4-Fluorophenyl)-2-cyclopropylquinoline-3-carboxylic acid methyl esterMethyl 2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinecarboxylatePitavastatin Impurity 56Methyl 2-cyclopropyl-4-(4-fluorophenyl)-quinoline-3-carboxylate3-Quinolinecarboxylic acid, 2-cyclopropyl-4-(4-fluorophenyl)-, methyl esterMethyl 4-(4'-fluorophenyl)-2-(cyclopropyl)-3-quinolinecarboxylateC20H16FNO2RNXQZVFWKIPEOJ-UHFFFAOYSA-N2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinecarboxylic Acid Methyl Ester; 2-Cyclopropyl-4-(4-fluorophenyl)quinoline-3-carboxylic acid methyl ester; 4-(4-Fluorophenyl)-2-cyclopropylquinoline-3-carboxylic acid methyl ester; Methyl 2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinecarboxylateMFCD11041028
Weitere Namen anzeigen
Methyl 2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinecarboxylatePitavastatin Impurity 664-(4'-fluorophenyl)-2-(cyclopropyl)-3-quinolinecarboxylatemethyl 4-(4'-fluorophenyl)-2-cyclopropylquinoline-3-carboxylateMETHYL 4-(4''-FLUOROPHENYL)-2-(CYCLOPROPYL)-3-QUINOLINECARBOXYLATE2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinecarboxylic Acid Methyl Ester2-Cyclopropyl-4-(4-fluorophenyl)quinoline-3-carboxylic acid methyl ester
SCHEMBL356302DTXSID40432604AKOS015900379AS-73314CS-0164808D95856Methyl2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carboxylatemethyl 2-cyclopropyl-4-(4'-fluorophenyl)quinoline-3-carboxylate
Datenbank-Bezeichner
- CAS
121659-86-7- PubChem CID
- 9901664
- DTXSID
DTXSID40432604- EC Number
- 601-796-8
- Nikkaji
- J1.646.460K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,3
- Polarare Oberfläche (TPSA)
- 39,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 459
Physikochemische Eigenschaften
- Schmelzpunkt
- 122 · 122-124°C
- Siedepunkt
- 458.1 · 458.1±45.0 °C(Predicted)
- Dichte
- 1.274 · 1.274
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 3.43 · 3.43±0.50(Predicted)
- Farbe
- Pale Yellow to Light Yellow
- CAS Datenbank
- 121659 · 121659-86-7(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Anwendungen
VerwendenPitavastatin intermediate.
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