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基本情報
- CAS
62869-69-6- 標準SMILES
O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1- InChIKey
HGMITUYOCPPQLE-IBGZPJMESA-N- 分子式
- C21H23NO3
- 平均分子量
- 337.4 g/mol
- 単同位体質量
- 337.1677936
名称と識別子
- 優先名称
- Quinuclidinyl benzilate, (-)-
- IUPAC
- [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate
- 英語名
- (R)-(-)-3-Quinuclidinyl benzilate
- 分子式
- C21H23NO3
- 分子量
- 337.41
名称と別名
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
名称をさらに表示
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
データベース識別子
- CAS
62869-69-6、6581-06-2- PubChem CID
- 688566
- ChEMBL
CHEMBL558910- UNII
- E69DLR7470、VF416M2D3P
- EC Number
- 636-310-3
- Nikkaji
- J419.449G
物性
構造計算による物性補完中
- XLogP
- 3.3
- 極性表面積
- 49.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 5
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 442
物理化学的性質
- 貯蔵温度
- 2 · 2-8°C
化学的性質
化学的特性Quinuclidinol benzilate (QNB) aka BZ, is a white crystalline solid. Odorless to fruitlike.
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 3 (100%)；Acute Tox. 3 (100%)；Acute Tox. 3 (100%)
安全データ
- wgk
- 3
- rtecs
- DD4638000
- ridadr
- UN 2811 6.1/PG 2
- risk_code
- 23/24/25
- hazard_code
- T
- safety_code
- 22-36/37/39-45
化学と産業
応用分野
使用(R)-(-)-3-Quinuclidinyl benzilate is a pharmacological agent used as muscarinic M3 antagonist for the inhaled treatment of chronic obstructive pulmonary disease (COPD).
サプライヤー2 社
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]
関連反応
2 件
化合物ノート
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