기본 정보
- CAS
59-98-3- 표준 SMILES
c1ccc(CC2=NCCN2)cc1- InChIKey
JIVZKJJQOZQXQB-UHFFFAOYSA-N- 분자식
- C10H12N2
- 평균 분자량
- 160.22 g/mol
- 단동위원소 질량
- 160.10004839
개요
Tolazoline is a member of the class of imidazoles that is 4,5-dihydro-1H-imidazole substituted by a benzyl group. It has a role as a vasodilator agent, an antihypertensive agent and an alpha-adrenergic antagonist.
이름 및 식별자
- 우선 이름
- Tolazoline
- IUPAC
- 2-benzyl-4,5-dihydro-1H-imidazole
- 영어명
- Tolazoline
- 분자식
- C10H12N2
- 분자량
- 160.22
이름 및 동의어
tolazoline59-98-32-Benzylimidazoline2-Benzyl-4,5-dihydro-1H-imidazoleBenzazoline2-Benzyl-2-imidazoline2-Benzyl-4,5-imidazolineTolazolinaTolazineTolazolinum4,5-Dihydro-2-(phenylmethyl)-1H-imidazole1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)-
이름 더 보기
PriscolineVasodilVasimidArtonilKasimidLambrilPriscolBenzolinciba3259
CHH9H12AQ3NSC-35110BenzalolinDTXSID3023683CHEBI:28502RefChem:56141DTXCID103683C04AB02
데이터베이스 식별자
- CAS
59-98-3- PubChem CID
- 5504
- DTXSID
DTXSID3023683- ChEMBL
CHEMBL770- ChEBI
CHEBI:28502- UNII
- CHH9H12AQ3
- EC Number
- 200-448-9
- Nikkaji
- J4.796A
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 24.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 169
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
LogP1.5
Solubility1.36e+00 g/L
Melting Point174 °C
Physical DescriptionSolid
Dissociation Constants10.3
Collision Cross Section133.41 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 66 · 66-69 °C(lit.)
- 끓는 점
- 188 °C/20mmHg · 188°C/20mmHg(lit.)
- 밀도
- 1.0849 · 1.0849 (rough estimate)
- 굴절률
- 1.6392 · 1.6392 (estimate)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 알코올: 자유롭게 용해됨
- 산도 계수 (pKa)
- 10.3 · pKa 10.3(H2O t undefined I = 0.1) (Uncertain)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302+H312+H332 (44.1%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
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 68 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationTolazoline: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - 1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- rtecs
- NJ1925000
- 독성
- cyt-ham:lng 62,500 mg/L GMCRDC 27,95,81
- HS 번호
- 2933299090
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-28-36/37/39-45
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
ATC Code
C - Cardiovascular system
M - Musculo-skeletal system
QC - Cardiovascular system
QV - Various
QM - Musculo-skeletal system
PharmacodynamicsTolazoline is a pulmonary vasodilator indicated used to decrease pulmonary vascular resistance (PVR) in persistent pulmonary hypertension of the newborn (PPHN).
Mechanism of Action
Vasodilation by means of a direct effect on peripheral vascular smooth muscle and indirect effects produced, in part, by release of endogenous histamine; tolazoline has moderate alpha-adrenergic blocking activity and has histamine agonist activity. Tolazoline usually reduces pulmonary arterial pressure and vascular resistance.
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.
Drugs used to cause dilation of the blood vessels.
Cellular LocationsMembrane
응용 분야
용도Tolazoline is used for treating stable forms of pulmonary hypertension in newborns, and in cases where systemic arterial oxygenation cannot be achieved in the usual manner under careful observation of professionals.
일반 설명2-Benzylimidazoline is an active vasodilator.
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