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フェノキシベンズアミン塩酸塩

Phenoxybenzamine Hydrochloride

HCID 5284441
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
63-92-3
標準SMILES
CC(COc1ccccc1)N(CCCl)Cc1ccccc1.Cl
InChIKey
VBCPVIWPDJVHAN-UHFFFAOYSA-N
分子式
C18H22ClNO.ClH
平均分子量
340.3 g/mol
単同位体質量
339.1156697

概要

Phenoxybenzamine Hydrochloride can cause cancer according to an independent committee of scientific and health experts.

名称と識別子

優先名称
Phenoxybenzamine Hydrochloride
IUPAC
N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine;hydrochloride
現地名
フェノキシベンズアミン塩酸塩
英語名
Phenoxybenzamine hydrochloride
分子式
C18H22ClNO.ClH
分子量
340.29

名称と別名

Phenoxybenzamine hydrochloride63-92-3Phenoxybenzamine HclDibenzyline chlorideDibenzyline hydrochlorideBensylyt NENPhenoxybenzamine chlorideDibenzylinDTXSID0021127NCI-C01661NSC-37448N-(2-Chloroethyl)-N-(1-methyl-2-phenoxyethyl)benzylamine hydrochloride
名称をさらに表示
フェノキシベンズアミン塩酸塩N-(2-クロロエチル)-N-(1-メチル-2-フェノキシエチル)ベンゼンメタンアミン·塩酸塩ジベンジリン塩酸塩フェノキシベンザミン塩酸塩ジベニリン塩酸塩N-(2-クロロエチル)-N-(1-メチル-2-フェノキシエチル)ベンジルアミン·塩酸塩塩酸フェノキシベンザミンフェノキシベンザミンヒドロクロリドフェノキシベンズアミン[[[フェノキシベンザミン塩酸塩N-(2-クロロエチル)-N-(1-メチル-2-フェノキシエチル)ベンジルアミン塩酸塩N-フェノキシイソプロピル-N-ベンジル-2-クロロエチルアミン塩酸塩フェノキシベンザミン 塩酸塩N-(2-クロロエチル)-N-(1-メチル-2-フェノキシエチル)ベンジルアミン・塩酸塩N-(2-クロロエチル)-N-(1-メチル-2-フェノキシエチル)ベンゼンメタンアミン・塩酸塩PHENOXYBENZAMINEdibenzyline688ABensylytbenzylytSKF-688AdibenylinNSC 37448
2-(N-Benzyl-2-chloroethylamino)-1-phenoxypropane hydrochlorideN-(2-Chloroethyl)-N-(1-methyl-2-phenoxyethyl)benzenemethanamine hydrochlorideN-2-Phenoxyisopropyl-N-benzyl-chloroethylamine hydrochlorideX1IEG24OHLDTXCID701127Benzyl(2-chloroethyl)(1-methyl-2-phenoxyethyl)amine hydrochlorideNSC37448Benzylamine, N-(2-chloroethyl)-N-(1-methyl-2-phenoxyethyl)-, hydrochloride

データベース識別子

CAS
63-92-3
PubChem CID
5284441
DTXSID
DTXSID0021127
ChEMBL
CHEMBL1200787
ChEBI
CHEBI:8078
UNII
X1IEG24OHL
EC Number
200-569-7

物性

構造計算による物性

極性表面積
12.5 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
8
重原子数
22
形式電荷
0
複雑度
262

実験および物理化学的性質

Solubility · 2 件

less than 0.1 mg/mL at 65.3 °F (NTP, 1992)

45.8 [ug/mL] (The mean of the results at pH 7.4)

Human Drugs · 2 件

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Melting Point280 to 284 °F (NTP, 1992)
Physical DescriptionPhenoxybenzamine hydrochloride is a white crystalline powder. Melting point 137.5-140 °C. Used as an antihypertensive drug.
Collision Cross Section194.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

物理化学的性質

融点
137.5 °C · 137.5°C
貯蔵温度
15 · 15-25°C
溶解性
エタノール、DMSO、ジメチルホルムアミド(DMF)などの有機溶媒に可溶。
酸解離定数(Pka)
4.4 · pKa 4.4 (Uncertain)
外見
粉
色
白い
水溶解度
0.01 g/100 · <0.01 g/100 mL で 18.5 ºC
Merck
14 · 14,7256
安定性
-20 °Cで最大3か月保存できます。 · DMSO溶液またはエタノール溶液で-20°Cで最大3か月保存できます。
InChI
1S/C18H22ClNO.ClH/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17;/h2-11,16H,12-15H2,1H3;1H
InChIKey
VBCPVIWPDJVHAN-UHFFFAOYSA-N
SMILES
Cl[H].CC(COc1ccccc1)N(CCCl)Cc2ccccc2
CAS データベース
63 · 63-92-3(CAS DataBase Reference)
EPAの化学物質情報
N-(2-Chloroethyl)-N-(1-methyl-2-phenoxyethyl)benzylamine hydrochloride (63-92-3)

化学的性質

化学的特性white crystalline solid or powder. Odorless. soluble in ethanol, chloroform, propylene glycol, slightly soluble in benzene, slightly soluble in cold water. The melting point of its free base is 38-40 ° C, and it is soluble in benzene.

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 · 6 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H350: May cause cancer [Danger Carcinogenicity]

危険有害性情報

Regulatory Information · 2 件

Hazard Traits - Carcinogenicity

Benzenemethanamine, N-(2-chloroethyl)-N-(1-methyl-2-phenoxyethyl)-, hydrochloride: 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 - Benzenemethanamine, N-(2-chloroethyl)-N-(1-methyl-2-phenoxyethyl)-, hydrochloride: Human health tier I assessment
Fire HazardsFlash point data are not available for this chemical, but it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound include nasal congestion, miosis, postural hypotension, tachycardia, gastrointestinal irritation, drowsiness and fatigue.
Reactive GroupEthers
Air and Water ReactionsLight sensitive and may be sensitive to exposure to air (NTP, 1992). Insoluble in water.
Hazard Classes and Categories · 3 件

Acute Tox. 4 (100%)

Acute toxicity (Oral) - Category 5

Carcinogenicity - Category 1B

安全と保護具

Fire FightingFires involving this compound should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)

毒性情報

Carcinogen Classification · 6 件

Phenoxybenzamine hydrochloride

Group 2B: Possibly carcinogenic to humans

Volume 24: (1980) Some Pharmaceutical Drugs

1987

1987

Phenoxybenzamine hydrochloride

Drug Induced Liver Injury · 6 件

Drug Induced Liver Injury Rank (DILIrank 2.0)

Phenoxybenzamine hydrochloride

vNo-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

RAIS Toxicity Values · 4 件

0.00077

CALEPA

2.7

CALEPA

安全データ

wgk
3
rtecs
DP3750000
hs_code
2922299000
risk_code
22-40
化審法
(3)-2716
hazard_code
Xn
safety_code
22-36/37/39-45
Hazard Classifications
Acute Tox. 4 OralCarc. 2
ストレージクラス
11 - Combustible Solids

化学と産業

薬理情報

FDA Pharmacological Classification · 2 件

PHENOXYBENZAMINE HYDROCHLORIDE

Adrenergic alpha-Antagonists [MoA]; alpha-Adrenergic Blocker [EPC]

MeSH Pharmacological Classification · 3 件

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.

応用分野 · 3 件

説明Phenoxybenzamine hydrochloride (dibenzyline) is an orally effective, long-acting non-selective (alpha1 and alpha2) alpha-adrenoceptor blocking agent. It is used for the control of episodes of hypertension associated withpheochromocytoma. It literally produces a "chemical sympathectomy". It increases blood flow to the skin, mucosa and abdominal viscera, and lowers both supine and erect blood pressures. It has no effect on the parasympathetic system. The initialdose is 10 mg/day, increased by 10 mg every 4 days till the desired response is attained.The usual dosage range is 20-60mg/day.

使用Phenoxybenzamine (5.0 to 60.0 mg/day) is used in order to control episodes of hypertension and sweating, it has a relatively slow onset and prolonged effect when compared to alternative α-blockers. If tachycardia is excessive, it may also be necessary to use a betablocker concomitantly. In addition, phenoxybenzamine has been tested for its efficacy in micturition disorders resulting from neurogenic bladder, functional outlet obstruction, and partial prostatic obstruction.

一般的な説明Phenoxybenzamine hydrochloride is a white crystalline powder. Melting point 137.5-140°C. Used as an antihypertensive drug.

上流・下流製品情報

上流原料

塩化スルフィニル塩酸1-フェノキシ-2-プロパノール塩化ベンジル2-アミノエタノール2-[N-(1-メチル-2-フェノキシエチル)-N-ベンジルアミノ]エタノールジクロロメタン

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このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート