2-{[(3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy}ethanol (2R,3R)-2,3-dihydroxysuccinate
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Grundinformationen
- CAS
376608-65-0- Standard-SMILES
CC1(C)O[C@@H]2[C@H](O1)[C@@H](OCCO)C[C@H]2N.O=C(O)[C@H](O)[C@@H](O)C(=O)O- InChIKey
XEYNXCGNMKWIDO-ABGQOWMBSA-N- Summenformel
- C14H25NO10
- Durchschnittliche Molmasse
- 367,35 g/mol
Namen und Bezeichner
- Bevorzugter Name
- 2-{[(3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy}ethanol (2R,3R)-2,3-dihydroxysuccinate
- IUPAC
- 2-[[(3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol;(2R,3R)-2,3-dihydroxybutanedioic acid
- Englischer Name
- 2-((3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yloxy)ethanol L-tataric acid
- Summenformel
- C14H25NO10
- Molmasse
- 367.35
Namen und Synonyme
2-(((3aR,4S,6R,6aS)-6-Amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanol (2R,3R)-2,3-dihydroxysuccinate2-(((3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta(d)(1,3)dioxol-4-yl)oxy)ethanol (2R,3R)-2,3-dihydroxysuccinate2-{[(3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy}ethanol (2R,3R)-2,3-dihydroxysuccinateRefChem:446826690-047-9376608-65-02-[[(3aR,4S,6R,6aS)-6-aminotetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-ethanol (2R,3R)-2,3-dihydroxybutanedioateMFCD22200635(2R,3R)-2,3-dihydroxybutanedioic acid; 2-{[(3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-yl]oxy}ethan-1-ol2-[[(3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol;(2R,3R)-2,3-dihydroxybutanedioic acid2-((3aR,4S,6R,6aS)-6-Amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yloxy)ethanol L-tataric acid2-(((3aR,4S,6R,6aS)-6-Amino-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethan-1-ol (2R,3R)-2,3-dihydroxysuccinate
Weitere Namen anzeigen
Ticagrelor intermediateEthanol, 2-[[(3aR,4S,6R,6aS)-6-aminotetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-, (2R,3R)-2,3-dihydroxybutanedioate (1:1) (salt)2-(((3aS,4R,6S,6aR)tetrahydro-3aH-cycLopenta[d][1,3]dioxoLTricagrelor Impurity 4Ticagrelor side chain 1Ticagrelor InterMediate 2
Ticagrelor Impurity 412-((3AR,4S,6R,6AS)-6-AMINO-2,2-DIMETHYLTETRAHYDRO-3AH-CYCLOPENTA[D][1,3]DIOXOL-4-YLOXY)ETHANOL L-TARTARIC ACIDBN6527PBL3SCHEMBL29530882XEYNXCGNMKWIDO-ABGQOWMBSA-NCS-M1880AKOS022171443DS-3969
Datenbank-Bezeichner
- CAS
376608-65-0- PubChem CID
- 72206654
- UNII
- BN6527PBL3
- EC Number
- 690-047-9
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 189 Ų
- H-Brücken-Donoren
- 6
- H-Brücken-Akzeptoren
- 11
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 367
Physikochemische Eigenschaften
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- InChI
- InChI=1/C10H19NO4.C4H6O6/c1-10(2)14-8-6(11)5-7(9(8)15-10)13-4-3-12;5-1(3(7)8)2(6)4(9)10/h6-9,12H,3-5,11H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t6-,7+,8+,9-;1-,2-/s3
- InChIKey
- XEYNXCGNMKWIDO-PLHQUINWNA-N
- SMILES
- [C@H](O)(C(=O)O)[C@@H](O)C(=O)O.O([C@H]1C[C@@H](N)[C@]2([H])OC(C)(C)O[C@]12[H])CCO |&1:0,5,11,13,15,22,r|
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 60% (3 of 5) of all reports.
Warning
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 02-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28156
Hazard Classes and CategoriesAcute Tox. 4 (20%)
Sicherheitsdaten
- hs_code
- 29329990
- safety_code
- 24/25
Chemie und Industrie
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
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