2-(((3aR,4S,6R,6aS)-6-(7-Chloro-5-(propylthio)-3H-1,2,3-triazolo(4,5-d)pyrimidin-3-yl)tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl)oxy)ethanol
Grundinformationen
- CAS
376608-75-2- Standard-SMILES
CCCSc1nc(Cl)c2nnn([C@@H]3C[C@H](OCCO)[C@H]4OC(C)(C)O[C@H]43)c2n1- InChIKey
DUDSRYMPNIDSMX-RSLMWUCJSA-N- Summenformel
- C17H24ClN5O4S
- Durchschnittliche Molmasse
- 429,9 g/mol
- Monoisotopische Masse
- 429,1237531
Namen und Bezeichner
- Bevorzugter Name
- 2-(((3aR,4S,6R,6aS)-6-(7-Chloro-5-(propylthio)-3H-1,2,3-triazolo(4,5-d)pyrimidin-3-yl)tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl)oxy)ethanol
- IUPAC
- 2-[[(3aR,4S,6R,6aS)-6-(7-chloro-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
- Englischer Name
- 2-[[(3aR,4S,6R,6aS)-6-[7-Chloro-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-ethanol
- Summenformel
- C17H24ClN5O4S
- Molmasse
- 429.92
Namen und Synonyme
376608-75-22-[[(3aR,4S,6R,6aS)-6-[7-Chloro-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]ethanol2-(((3aR,4S,6R,6aS)-6-(7-Chloro-5-(propylthio)-3H-1,2,3-triazolo(4,5-d)pyrimidin-3-yl)tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl)oxy)ethanolRefChem:2490602-(((3aR,4S,6R,6aS)-6-(7-Chloro-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanol1423768-39-12-[[(3aR,4S,6R,6aS)-6-(7-chloro-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanolrel-2-(((3aR,4S,6R,6aS)-6-(7-Chloro-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanolTicagrelor Impurity 32ETHANOL, 2-[[(3AR,4S,6R,6AS)-6-[7-CHLORO-5-(PROPYLTHIO)-3H-1,2,3-TRIAZOLO[4,5-D]PYRIMIDIN-3-YL]TETRAHYDRO-2,2-DIMETHYL-4H-CYCLOPENTA-1,3-DIOXOL-4-YL]OXY]-DUDSRYMPNIDSMX-RSLMWUCJSA-N2-({(3aR,4S,6R,6aS)-6-[7-Chloro-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl}oxy)ethanol
Weitere Namen anzeigen
Ticagrelor-18Ticagrelor Impurity 50Ticagrelor 7-Chloro ImpurityTicagrelor Related Compound 99Ticagrelor Impurity 20（Ticagrelor Related Compound 99）Ethanol, 2-[[(3aR,4S,6R,6aS)-6-[7-chloro-5-(propylthio)-3H-1...2-des([(3,4-difluorophenyl)cyclopropyl]amino)-2-chloro-Ticagrelor acetonide2-[[(3AR,4S,6R,6aS)-6-(7-chloro-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyl-4Ticagrelor Related Compound 99Q: What is Ticagrelor Related Compound 99 Q: What is the CAS Number of Ticagrelor Related Compound 99
Ticagrelor Impurity?Z5NXW4DNB44SCHEMBL2130983DTXSID0011001822-[[(3AR,4S,6R,6aS)-6-(7-chloro-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanolCS-M17492-[[(3aR,4S,6R,6aS)-6-[7-Chloro-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-ethanolP13825
Datenbank-Bezeichner
- CAS
376608-75-2- PubChem CID
- 21035774
- DTXSID
DTXSID001100182- UNII
- 5NXW4DNB44
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 130 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 550
Physikochemische Eigenschaften
- Siedepunkt
- 644.7 · 644.7±65.0 °C(Predicted)
- Dichte
- 1.62 · 1.62±0.1 g/cm3 (20 ºC 760 Torr)
- pka
- 14.33 · 14.33±0.10(Predicted)
Chemie und Industrie
Anwendungen
Verwenden2-[[(3aR,4S,6R,6aS)-6-[7-Chloro-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]ethanol is used as a reagent in the synthesis of Ticagrelor (T437700); an orally active reversible P2Y12 receptor antagonist for the prevention of thrombosis.
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