(1S,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester
Grundinformationen
- CAS
629652-42-2- Standard-SMILES
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc3c(c2)OCO3)N1C(=O)CCl- InChIKey
JUKHNCNDFOAFLT-KKSFZXQISA-N- Summenformel
- C22H19ClN2O5
- Durchschnittliche Molmasse
- 426,8 g/mol
Namen und Bezeichner
- Bevorzugter Name
- (1S,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester
- IUPAC
- methyl (1S,3S)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
- Englischer Name
- (1S,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester
- Summenformel
- C22H19ClN2O5
- Molmasse
- 426.85
Namen und Synonyme
629652-42-2Tadalafil Impurity 13(1S,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester(1S,3S)-Methyl 1-(benzo[d][1,3]dioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylateTadalafil Impurity 17JUKHNCNDFOAFLT-KKSFZXQISA-N(1S,3S)-ChloropretadalafilSCHEMBL3076438DB-299480CS-0166248(1S,3S)-methyl 1-(benzo[d][1,3]dioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate? (Tadalafil Impuritycis 1-benzo[1,3]dioxol-5-yl-2-(2-chloro-acetyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid methyl ester
Weitere Namen anzeigen
TDF-LA-M2Tadalafil-005Tadalafil-005-1S3STadalafil Impurity 68(1S, 3S) Open Ring Tadalafil ImpurityTadalafil intermediate II enantiomer (s, s)methyl (1S,3S)-1-(benzo[d][1,3]dioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido [3,4-b]indole-3-carboxylate1H-Pyrido[3,4-b]indole-3-carboxylic acid,1-(1,3-benzodioxol-5-yl)-2-(chloroacetyl)-2,3,4,9-tetrahydro-, methylester, (1S,3S)-
Cis-1 -benzo [1,3 ]dioxol-5 -yl-2-(2-chloro-acetyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid methyl esterCis-1-benzo[1,3]dioxol-5-yl-2-(2-chloro-acetyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid methyl ester
Datenbank-Bezeichner
- CAS
629652-42-2- PubChem CID
- 68502869
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 80,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 30
- Formalladung
- 0
- Komplexität
- 678
Physikochemische Eigenschaften
- Schmelzpunkt
- 208 · 208-210oC
- storage temp.
- Room Temp
- Löslichkeit
- DMSO, Methanol
- Aggregatzustand
- Solid
- Farbe
- Light Yellow
Chemie und Industrie
Anwendungen
VerwendenTadalafil (T004500) derivative.
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