(-)-Dihydroquinine

HCID 121515

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 23495-98-9
표준 SMILES: CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12
InChIKey: LJOQGZACKSYWCH-WZBLMQSHSA-N
분자식: C20H26N2O2
평균 분자량: 326.4 g/mol
단동위원소 질량: 326.19942808

이름 및 식별자

우선 이름: (-)-Dihydroquinine
IUPAC: (R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol

이름 및 동의어

HYDROQUININE522-66-7(-)-Dihydroquinine10,11-dihydroquinine(-)-hydroquinine(-)-10,11-dihydroquinineDTXSID7087851631J3Q51T6LNSC-41799Cinchonan-9-ol, 10,11-dihydro-6'-methoxy-, (8alpha,9R)-RefChem:147104DTXCID301016562

이름 더 보기

(R)-((1S,2S,4S,5R)-5-ethyl-1-azabicyclo(2.2.2)octan-2-yl)(6-methoxyquinolin-4-yl)methanol208-334-0Dihydroquinine(1R)-((2S,4S,5R)-5-Ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methanolMFCD00151107C20H26N2O2NSC 41799Quinine Sulfate EP Impurity C

데이터베이스 식별자

CAS: 23495-98-9、522-66-7
PubChem CID: 121515
DTXSID: DTXSID70878516
ChEMBL: CHEMBL588934
ChEBI: CHEBI:135994
UNII: 31J3Q51T6L
EC Number: 208-334-0
Nikkaji: J6.625G

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 45.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 24
형식 전하: 0
복잡도: 432

실험 및 물리화학적 성질

Physical DescriptionSolid; [Merck Index] Beige powder; [Sigma-Aldrich MSDS]

Collision Cross Section · 1건

177.09 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；175.29 Å² [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；170.4 Å² [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；174.69 Å² [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 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

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)；Eye Irrit. 2 (97.6%)；STOT SE 3 (95.1%)

화학 및 산업

약리 정보

ATC Code · 2건

M - Musculo-skeletal system；M09 - Other drugs for disorders of the musculo-skeletal system；M09A - Other drugs for disorders of the musculo-skeletal system；M09AA - Quinine and derivatives；M09AA01 - Hydroquinine

QM - Musculo-skeletal system；QM09 - Other drugs for disorders of the musculo-skeletal system；QM09A - Other drugs for disorders of the musculo-skeletal system；QM09AA - Quinine and derivatives；QM09AA01 - Hydroquinine

MeSH Pharmacological Classification · 2건

Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.

Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS.