기본 정보
- CAS
27591-01-1- 표준 SMILES
CC(C)(C)NCC(O)COc1cccc2c1CCCC2=O- InChIKey
IXHBTMCLRNMKHZ-UHFFFAOYSA-N- 분자식
- C17H25NO3
- 평균 분자량
- 291.4 g/mol
- 단동위원소 질량
- 291.18344366
개요
(+-)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one is a naphthalenone. It is a conjugate base of a (+-)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one(1+).
이름 및 식별자
- 우선 이름
- (+-)-Bunolol
- IUPAC
- 5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one
- 영어명
- Bunolol
- 분자식
- C17H25NO3
- 분자량
- 291.39
이름 및 동의어
Bunolol27591-01-1BunololoBunololumBRN 188724371QSY2UT3G5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-oneDTXSID70227025-(3-(tert-butylamino)-2-hydroxypropoxy)-3,4-dihydro-2H-naphthalen-1-one(+-)-BunololRefChem:408805DTXCID402702
이름 더 보기
BRN1887243BRN-18872435-(3-(tert-butylaMino)-2-hydroxypropoxy)-3,4-dihydronaphthalen-1(2H)-one5-[(2r)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2h-naphthalen-1-one1(2H)-Naphthalenone, 5-3-(1,1-dimethylethyl)amino-2-hydroxypropoxy-3,4-dihydro-
W6412ABunolol [INN](+/-)-BunololRacemic bunolol;dl-Bunolol5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one1(2H)-NAPHTHALENONE, 3,4-DIHYDRO-5-(3-(tert-BUTYLAMINO)-2-HYDROXYPROPOXY)-W-6421A1(2H)-Naphthalenone, 5-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-3,4-dihydro-
데이터베이스 식별자
- CAS
27591-01-1- PubChem CID
- 3914
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 58.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 350
물리화학적 성질
- 산도 계수 (pKa)
- 9.32 · pKa 9.32 (Uncertain)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information1(2H)-Naphthalenone, 5-3-(1,1-dimethylethyl)amino-2-hydroxypropoxy-3,4-dihydro-: Does not have an individual approval but may be used under an appropriate group standard
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Drugs that bind to but do not activate beta-adrenergic receptors thereby blocking the actions of beta-adrenergic agonists. Adrenergic beta-antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches, and anxiety.
Drugs that inhibit the actions of the sympathetic nervous system by any mechanism. The most common of these are the ADRENERGIC ANTAGONISTS and drugs that deplete norepinephrine or reduce the release of transmitters from adrenergic postganglionic terminals (see ADRENERGIC AGENTS). Drugs that act in the central nervous system to reduce sympathetic activity (e.g., centrally acting alpha-2 adrenergic agonists, see ADRENERGIC ALPHA-AGONISTS) are included here.
응용 분야
용도Anti-adrenergic ( β-receptor).
공급사4 곳
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