Revaprazan Hydrochloride
Grundinformationen
- CAS
178307-42-1- Standard-SMILES
Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccccc3C2C)c1C.Cl- InChIKey
MALPZYQJEDBIAK-UHFFFAOYSA-N- Summenformel
- C22H24ClFN4
- Durchschnittliche Molmasse
- 398,9 g/mol
- Monoisotopische Masse
- 398,1673526
Namen und Bezeichner
- Bevorzugter Name
- Revaprazan Hydrochloride
- IUPAC
- N-(4-fluorophenyl)-4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine;hydrochloride
- Englischer Name
- 2-Pyrimidinamine, 4-(3,4-dihydro-1-methyl-2(1H)-isoquinolinyl)-N-(4-fluorophenyl)-5,6-dimethyl-, monohydrochloride
- Summenformel
- C22H23FN4.ClH
- Molmasse
- 398.9
Namen und Synonyme
Revaprazan Hydrochloride178307-42-1Revaprazan HClYH-1885YH1885SB-641257AYH 18854DQ6T10R64SB-641257 HYDROCHLORIDERefChem:179018Revaprazan (hydrochloride)Revaprazan Hydrochloride [USAN]
Weitere Namen anzeigen
CS-652RevanexSB 641257YH 1885-d3SB 641257A-d3SB 641257 HCl
2-Pyrimidinamine, 4-(3,4-dihydro-1-methyl-2(1H)-isoquinolinyl)-N-(4-fluorophenyl)-5,6-dimethyl-, hydrochloride (1:1)2-Pyrimidinamine, 4-(3,4-dihydro-1-methyl-2(1H)-isoquinolinyl)-N-(4-fluorophenyl)-5,6-dimethyl-, monohydrochlorideN-(4-Fluorophenyl)-4,5-dimethyl-6-(1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-amine hydrochloride5,6-Dimethyl-2-(4-fluorophenylamino)-4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidine hydrochlorideN-(4-fluorophenyl)-4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine;hydrochlorideRevaprazan hydrochloride (USAN)SB 641257AUNII-4DQ6T10R64
Datenbank-Bezeichner
- CAS
178307-42-1- PubChem CID
- 204103
- DTXSID
DTXSID30939071
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 41,1 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 481
Physikochemische Eigenschaften
- Schmelzpunkt
- 205 · 205-208°
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- 8.33 mg/mL · DMSO: 8.33 mg/mL (20.88 mM)
- Aggregatzustand
- Solid
- Farbe
- White to off-white
- InChI
- InChI=1S/C22H23FN4.ClH/c1-14-15(2)24-22(25-19-10-8-18(23)9-11-19)26-21(14)27-13-12-17-6-4-5-7-20(17)16(27)3;/h4-11,16H,12-13H2,1-3H3,(H,24,25,26);1H
- InChIKey
- MALPZYQJEDBIAK-UHFFFAOYSA-N
- SMILES
- CC1C2=CC=CC=C2CCN1C1C(=C(C)N=C(NC2C=CC(F)=CC=2)N=1)C.Cl
Chemie und Industrie
Anwendungen
VerwendenGastric proton pump inhibitor. Antiulcerative.
Anbieter100 Anbieter
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