기본 정보
- CAS
65-28-1- 표준 SMILES
CS(=O)(=O)O.Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1- InChIKey
OGIYDFVHFQEFKQ-UHFFFAOYSA-N- 분자식
- C18H23N3O4S
- 평균 분자량
- 377.5 g/mol
- 단동위원소 질량
- 377.1409274
개요
Phentolamine Mesylate is the mesylate salt of a synthetic imidazoline with alpha-adrenergic antagonist activity. As a competitive alpha-adrenergic antagonist, phentolamine binds to alpha-1 and alpha-2 receptors, resulting in a decrease in peripheral vascular resistance and vasodilatation. This agent also may block 5-hydroxytryptamine (5-HT) receptors and stimulate release of histamine from mast cells.
이름 및 식별자
- 우선 이름
- Phentolamine Methanesulfonate
- IUPAC
- 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol;methanesulfonic acid
- 영어명
- Phentolamine mesilate
- 분자식
- C18H23N3O4S
- 분자량
- 377.46
이름 및 동의어
Phentolamine mesylate65-28-1phentolamine mesilatePhentolamine methanesulfonateOraVerseMesylate phentolamineRYZUMVINV-101Y7543E5K9TDTXSID60215315Mesilate, PhentolamineMesylate, Phentolamine
이름 더 보기
REGITINVASOMAXPhentoLFE202158FE 202158amine MesyLPhentolamine meREGITIN MESYLATEregitinemesylate
RefChem:55851Methanesulfonate, PhentolamineDTXCID601378062-(N-p'-Tolyl-N-(m'-hydroxyphenyl)aminomethyl)imidazoline Monomethanesulfonate200-604-6Phentolamine (mesylate)Phentolamine methanesulfonate saltRegitine methanesulfonate
데이터베이스 식별자
- CAS
65-28-1- PubChem CID
- 91430
- DTXSID
DTXSID60215315- ChEMBL
CHEMBL1200873- UNII
- Y7543E5K9T
- EC Number
- 200-604-6
물성
구조 계산 물성
- 극성 표면적
- 111 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 456
실험 및 물리화학적 성질
Solubility>56.6 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
물리화학적 성질
- 녹는점
- 180 · 180-182 °C(lit.)
- 밀도
- 1.2256 · 1.2256 (rough estimate)
- 굴절률
- 1.632 · 1.6320 (estimate)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 26 mg/mL · 에탄올: 26mg/mL
- 물리적 상태
- 가루
- 색상
- 흰색에서 황백색까지
- 수용성
- 50 mg/mL · 50mg/mL
- Merck
- 14 · 14,7264
- 안정성
- 수액은 불안정합니다.
- InChI
- InChI=1S/C17H19N3O.CH4O3S/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15;1-5(2,3)4/h2-8,11,21H,9-10,12H2,1H3,(H,18,19);1H3,(H,2,3,4)
- InChIKey
- OGIYDFVHFQEFKQ-UHFFFAOYSA-N
- SMILES
- N(CC1=NCCN1)(C1C=CC(C)=CC=1)C1C=CC=C(O)C=1.S(=O)(=O)(O)C
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, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Other Safety InformationIMAP assessments - Phenol, 3-[[(4,5-dihydro-1H-imidazol-2-yl)methyl](4-methylphenyl)amino]-, monomethanesulfonate (salt): Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
독성 정보
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Phentolamine mesylate
vNo-DILI-concern
0
No match
DOI:10.1016/j.drudis.2016.02.015
안전 데이터
- wgk
- 3
- rtecs
- SL5430000
- ridadr
- 3249
- 독성
- LDLo scu-rat: 275 mg/kg NIIRDN 6,667,82
- HS 번호
- 29332900
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 26-36
화학 및 산업
약리 정보
FDA Pharmacological Classification
PHENTOLAMINE MESYLATE
Adrenergic alpha-Antagonists [MoA]; alpha-Adrenergic Blocker [EPC]
MeSH Pharmacological Classification
Drugs that bind to but do not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. Adrenergic alpha-antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.
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
용도Phentolamine mesilate is an adrenergic blocking agent and antihypertensive. It is used in the treatment of hypertension and hypertensive emergencies, pheochromocytoma, vasospasm of raynaud disease and frostbite, clonidine withdrawal syndrome, impotence, and peripheral vascular disease.
일반 설명Phentolamine Mesylate belongs to the class of alpha adrenergic antagonist drugs. It is used in the treatment of pheochromocytoma-related hypertension, erectile dysfunction and in the diagnosis of pheochromocytoma and norepinephrine-related dermal necrosis.
상·하류 제품 정보
상류 원료
공급사100 곳
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0건
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