Ethylhydrocupreine hydrochloride

HCID 16219340

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3413-58-9
표준 SMILES: CCOc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4CC)c2c1.Cl
InChIKey: QNRATNLHPGXHMA-XZHTYLCXSA-N
분자식: C21H29ClN2O2
평균 분자량: 376.9 g/mol
단동위원소 질량: 376.1917559

이름 및 식별자

우선 이름: Ethylhydrocupreine hydrochloride
IUPAC: (R)-(6-ethoxyquinolin-4-yl)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol;hydrochloride
영어명: Ethylhydrocupreine hydrochloride
분자식: C21H29ClN2O2
분자량: 376.92

이름 및 동의어

ETHYLHYDROCUPREINE HYDROCHLORIDE3413-58-9Numoquin hydrochlorideNeumolisinaEthylhydrocupreine HClRhombicOptoquin hydrochlorideOptoquinhydrochlorideNSC-5361S3N0JB4FC7GNF-Pf-5574TCMDC-123483

이름 더 보기

OptochineHCloptochinhydrochloridenumoquinhydrochlorideEthylhydrocupreine HCIOPTICHIN HYDROCHLORIDEo-ethyl-hydrocupreinhydrochlorideEthylhydrocupreine HCl,Optochin HCl

NSC 5361EINECS 222-302-3Ethylhydrocupreine hydrochloride [NF]Hydrocupreine, O-ethyl-, hydrochlorideHydrocupreine, ethyl ester, hydrochlorideTCMDC-125547Hydrocupreine, O-6'-ethyl-, monohydrochloride (VAN)O-ETHYLHYDROCUPREINE HYDROCHLORIDE

데이터베이스 식별자

CAS: 3413-58-9
PubChem CID: 16219340
DTXSID: DTXSID301366795
ChEMBL: CHEMBL534999
UNII: S3N0JB4FC7
EC Number: 222-302-3

물성

구조 계산 물성

극성 표면적: 45.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 26
형식 전하: 0
복잡도: 446

물리화학적 성질

녹는점: 121 · 121-123°C
저장 조건: 2 · 2-8°C
용해도: 125 mg/mL · DMSO : 125 mg/mL (331.64 mM; Need ultrasonic)
물리적 상태: Solid
색상: White to off-white
BRN: 4055970 · 4055970
주요 응용: 법의학 및 독성학의약품(소분자)수의사
InChIKey: QNRATNLHPGXHMA-XZHTYLCXSA-N
SMILES: Cl[H].[H][C@@]12CCN(C[C@@H]1CC)[C@@]([H])(C2)[C@H](O)c3ccnc4ccc(OCC)cc34

안전 및 규제

유해성 정보

Regulatory InformationChemical: Cinchonan-9-ol, 6'-ethoxy-10,11-dihydro-, monohydrochloride, (8.alpha.,9R)-

규제 정보

Regulatory InformationChemical: Cinchonan-9-ol, 6'-ethoxy-10,11-dihydro-, monohydrochloride, (8.alpha.,9R)-

안전 데이터

wgk: 3
rtecs: MW6300000
HS 번호: 29392900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-36-26
F 고인화성물질: 8
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Ethylhydrocupreine Hydrochloride is a reagent used in the alteration in bacterial morphology. Also, it inhibits methylene blue (MB) reductase activity; Anti-pneumococcal analog of quinine-HC1 which stimulated the diaphorase activity of pig heart muscle and Escherichia coli lipoyl dehydrogenase.

공급사44 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]

江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]

Aladdin Scientific[email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

화합물 노트

불러오는 중…