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기본 정보
- CAS
62869-69-6- 표준 SMILES
O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1- InChIKey
HGMITUYOCPPQLE-IBGZPJMESA-N- 분자식
- C21H23NO3
- 평균 분자량
- 337.4 g/mol
- 단동위원소 질량
- 337.1677936
이름 및 식별자
- 우선 이름
- Quinuclidinyl benzilate, (-)-
- IUPAC
- [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate
- 현지명
- R(-)-퀴누클리디닐벤질레이트
- 영어명
- (R)-(-)-3-Quinuclidinyl benzilate
- 분자식
- C21H23NO3
- 분자량
- 337.41
이름 및 동의어
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
이름 더 보기
R(-)-퀴누클리디닐벤질레이트R(-)-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
데이터베이스 식별자
- CAS
62869-69-6、6581-06-2- PubChem CID
- 688566
- ChEMBL
CHEMBL558910- UNII
- E69DLR7470、VF416M2D3P
- EC Number
- 636-310-3
- Nikkaji
- J419.449G
물성
구조 계산 물성보충 중
- XLogP
- 3.3
- 극성 표면적
- 49.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 442
물리화학적 성질
- 저장 조건
- 2 · 2-8°C
화학적 성질
Quinuclidinol benzilate (QNB) aka BZ, is a white crystalline solid. Odorless to fruitlike.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)；Acute Tox. 3 (100%)；Acute Tox. 3 (100%)
안전 데이터
- 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
화학 및 산업
응용 분야
용도(R)-(-)-3-Quinuclidinyl benzilate is a pharmacological agent used as muscarinic M3 antagonist for the inhaled treatment of chronic obstructive pulmonary disease (COPD).
공급사2 곳
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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