기본 정보
- CAS
38363-32-5- 표준 SMILES
CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1.CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1.O=S(=O)(O)O- InChIKey
FEDSNBHHWZEYTP-ZFQYHYQMSA-N- 분자식
- C36H60N2O8S
- 평균 분자량
- 680.9 g/mol
- 단동위원소 질량
- 680.40703805
개요
Penbutolol sulfate is an ethanolamine sulfate salt. It has a role as a beta-adrenergic antagonist. It is functionally related to a penbutolol.
이름 및 식별자
- 우선 이름
- Penbutolol Sulfate
- IUPAC
- bis((2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol);sulfuric acid
- 영어명
- PENBUTOLOL SULFATE (200 MG)
- 분자식
- C44H76N2O8S
- 분자량
- 793.14784
이름 및 동의어
PENBUTOLOL SULFATE38363-32-5LevatolHOE 893dHOE 39-893dpenbutolol sulphateDTXSID5045467Hoe-893dHOE-39-893dNSC-760043CHEBI:7955DTXCID3025467
이름 더 보기
PaginolPenbutolopenbutololsulfatopenbutololsulfatePenbutolol solutionPenbutolol sulfate CRSPenbutolol in Methanol
US714332282-Propanol, 1-(2-cyclopentylphenoxy)-3-((1,1-dimethylethyl)amino)-, (S)-, sulfate (2:1) (salt)Sulfate, PenbutololHoe893dRefChem:56594Penbutolol Sulfate (2:1)(2S)-3-(2-Cyclopentylphenoxy)-1-(1,1-dimethylethyl)aminopropan-2-ol hemisulfate(-)-Terbuclomine
데이터베이스 식별자
- CAS
38363-32-5- PubChem CID
- 38010
- DTXSID
DTXSID5045467- ChEMBL
CHEMBL2361370- ChEBI
CHEBI:7955- UNII
- US71433228
- EC Number
- 253-906-5
물성
구조 계산 물성
- 극성 표면적
- 166 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 375
실험 및 물리화학적 성질
Human Drugs
Breast Feeding; Lactation; Milk, Human; Antihypertensive Agents; Adrenergic Beta-Antagonists; Antiarrhythmics
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
물리화학적 성질
- 녹는점
- 216 · 216-218℃ (Decomposition)
- 저장 조건
- -20 °C,sealed · Store at -20°C,sealed storage, away from moisture
- 용해도
- 물에 약간 용해되고 메탄올에 용해되며 시클로헥산에는 거의 용해되지 않습니다.
- 물리적 상태
- Solid
- 색상
- White to off-white
- 안정성
- 흡습성
- 주요 응용
- 의약품(소분자)
- InChIKey
- FEDSNBHHWZEYTP-ZFQYHYQMSA-N
- SMILES
- [S](=O)(=O)(O)O.N(C[C@H](O)COc3c(cccc3)C4CCCC4)C(C)(C)C.N(C[C@H](O)COc1c(cccc1)C2CCCC2)C(C)(C)C
화학적 성질
White or almost white, crystalline powder.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P301+P317, P304+P340, P319, P330, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
독성 정보
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Penbutolol sulfate
vNo-DILI-concern
0
No match
DOI:10.1016/j.drudis.2016.02.015
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
안전 데이터
- wgk
- WGK 3
- 독성
- mmo-sat 10 mg/plate MUREAV 204,675,88
- HS 번호
- 2922190900
- Hazard Classifications
- Acute Tox. 4 OralSTOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
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 used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.
응용 분야
용도Anti-adrenergic (β-receptor).
공급사41 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
珠海安哲生物科技有限公司13169972583 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
广州和为医药科技有限公司17612033329 17612033329
风咏生物（AbMole）021-10000000 13000000000 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
爱必信（上海）生物科技有限公司13761418683 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
Musechem+1-800-259-7612 · [email protected]
上海百舜生物科技有限公司021-37581181 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
Aladdin Scientific[email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
ChemeGen 中国18818260767 · [email protected]
Baoji Guokang Healthchem Co., Ltd.+86-0917-3909592 +86-13892490616 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海安毕达生物科技有限公司021-61629020 18201956406 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…