基本情報
- CAS
59-98-3- 標準SMILES
c1ccc(CC2=NCCN2)cc1- InChIKey
JIVZKJJQOZQXQB-UHFFFAOYSA-N- 分子式
- C10H12N2
- 平均分子量
- 160.22 g/mol
- 単同位体質量
- 160.10004839
概要
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.
名称と識別子
- 優先名称
- Tolazoline
- IUPAC
- 2-benzyl-4,5-dihydro-1H-imidazole
- 現地名
- トラゾリン
- 英語名
- Tolazoline
- 分子式
- C10H12N2
- 分子量
- 160.22
名称と別名
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)-
名称をさらに表示
アルトニル4,5-ジヒドロ-2-フェニルメチル-1H-イミダゾールオリテンソール2-ベンジル-2-イミダゾリンバソジルフェニルメチルイミダゾリンベンジダゾールトラゾリンバシミド2-ベンジル-4,5-ジヒドロ-1H-イミダゾールバソジラタンプリスコリンプレファクシルカシミドプリスコルラムブリル2-ベンジルイミダゾリンPriscolineVasodilVasimidArtonilKasimidLambrilPriscolBenzolinciba3259
CHH9H12AQ3NSC-35110BenzalolinDTXSID3023683CHEBI:28502RefChem:56141DTXCID103683C04AB02
物性
構造計算による物性
- XLogP
- 2.6
- 極性表面積
- 24.4 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 2
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 169
実験および物理化学的性質
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]
物理化学的性質
- 融点
- 66 · 66-69 °C(lit.)
- 沸点
- 188 °C/20mmHg · 188°C/20mmHg(lit.)
- 比重(密度)
- 1.0849 · 1.0849 (rough estimate)
- 屈折率
- 1.6392 · 1.6392 (estimate)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- アルコール: 溶けやすい
- 酸解離定数(Pka)
- 10.3 · pKa 10.3(H2O t undefined I = 0.1) (Uncertain)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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%)
安全データ
- wgk
- 3
- rtecs
- NJ1925000
- 毒性
- cyt-ham:lng 62,500 mg/L GMCRDC 27,95,81
- hs_code
- 2933299090
- risk_code
- 20/21/22-36/37/38
- 化審法
- (9)-1346
- 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
化学と産業
薬理情報
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
応用分野
使用Tolazoline 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.
一般的な説明2-Benzylimidazoline is an active vasodilator.
上流・下流製品情報
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