Quinuclidinyl benzilate, (-)-
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Grundinformationen
- CAS
62869-69-6- Standard-SMILES
O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1- InChIKey
HGMITUYOCPPQLE-IBGZPJMESA-N- Summenformel
- C21H23NO3
- Durchschnittliche Molmasse
- 337,4 g/mol
- Monoisotopische Masse
- 337,1677936
Namen und Bezeichner
- Bevorzugter Name
- Quinuclidinyl benzilate, (-)-
- IUPAC
- [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate
- Englischer Name
- (R)-(-)-3-Quinuclidinyl benzilate
- Summenformel
- C21H23NO3
- Molmasse
- 337.41
Namen und Synonyme
62869-69-6Quinuclidinyl benzilate, (-)-(R)-Quinuclidinyl benzilate(R)-3-Quinuclidinyl Benzilate(-)-Quinuclidinyl benzilateUNII-VF416M2D3P(R)-(-)-QNBVF416M2D3P(R)-QNBBenzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 1-azabicyclo(2.2.2)oct-3-yl ester, (-)-QUINUCLIDINYL BENZILATE, (R)-(-)-3-QUINUCLIDINYL BENZILATE
Weitere Namen anzeigen
R(-)-QUINUCLIDINYL BENZILATE R(-)-QNB MU SCAR-(-)-QNB, R-(-)-Quinuclidinyl-α-hydroxydiphenylacetate(1S,3R,4S)-quinuclidin-3-yl 2-hydroxy-2,2-diphenylacetate(WXG03091)Benzeneacetic acid, α-hydroxy-α-phenyl-, (3R)-1-azabicyclo[2.2.2]oct-3-yl ester
(R)-QUINUCLIDIN-3-YL 2-HYDROXY-2,2-DIPHENYLACETATEBENZENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-PHENYL-, (3R)-1-AZABICYCLO(2.2.2)OCT-3-YL ESTERRefChem:202821BENZENEACETIC ACID, ALPHA-HYDROXY-ALPHA-PHENYL-, (3R)-1-AZABICYCLO(2.2.2)OCT-3-YL ESTER(3r)-1-Azabicyclo[2.2.2]oct-3-Yl Hydroxy(Diphenyl)acetate[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetateCHEMBL558910Benzilic acid, 3-quinuclidinyl ester
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 49,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 442
Physikochemische Eigenschaften
- storage temp.
- 2 · 2-8°C
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (100%)；Acute Tox. 3 (100%)；Acute Tox. 3 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 2
- RTECS-Nr.
- DD4638000
- risk_code
- 23/24/25
- hazard_code
- T
- safety_code
- 22-36/37/39-45
Chemie und Industrie
Anwendungen
Verwenden(R)-(-)-3-Quinuclidinyl benzilate is a pharmacological agent used as muscarinic M3 antagonist for the inhaled treatment of chronic obstructive pulmonary disease (COPD).
Anbieter2 Anbieter
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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2
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