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페녹시벤즈아민 하이드로클로라이드

Phenoxybenzamine Hydrochloride

HCID 5284441
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
63-92-3
표준 SMILES
CC(COc1ccccc1)N(CCCl)Cc1ccccc1.Cl
InChIKey
VBCPVIWPDJVHAN-UHFFFAOYSA-N
분자식
C18H22ClNO.ClH
평균 분자량
340.3 g/mol
단동위원소 질량
339.1156697

개요

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

이름 및 식별자

우선 이름
Phenoxybenzamine Hydrochloride
IUPAC
N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine;hydrochloride
현지명
페녹시벤즈아민 하이드로클로라이드
영어명
Phenoxybenzamine hydrochloride
분자식
C18H22ClNO.ClH
분자량
340.29

이름 및 동의어

Phenoxybenzamine hydrochloride63-92-3Phenoxybenzamine HclDibenzyline chlorideDibenzyline hydrochlorideBensylyt NENPhenoxybenzamine chlorideDibenzylinDTXSID0021127NCI-C01661NSC-37448N-(2-Chloroethyl)-N-(1-methyl-2-phenoxyethyl)benzylamine hydrochloride
이름 더 보기
페녹시벤즈아민하이드로클로라이드페녹시벤즈아민하이드로클로라이드PHENOXYBENZAMINEdibenzyline688ABensylytbenzylytSKF-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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적
12.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
8
무거운 원자 수
22
형식 전하
0
복잡도
262

실험 및 물리화학적 성질

Solubility · 2건

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 · 2건

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]

물리화학적 성질

녹는점
137.5 °C · 137.5°C
저장 조건
15 · 15-25°C
용해도
에탄올, DMSO 및 디메틸 포름아미드(DMF)와 같은 유기 용매에 용해됩니다.
산도 계수 (pKa)
4.4 · pKa 4.4 (Uncertain)
물리적 상태
가루
색상
하얀색
수용성
18.5 · 18.5 ºC에서 <0.01g/100mL
Merck
14 · 14,7256
안정성
2 · 공급된 상태로 2년 동안 안정적입니다. DMSO 또는 증류수에 용해된 용액은 -20°C에서 최대 3개월 동안 보관할 수 있습니다.
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
EPA
N-(2-Chloroethyl)-N-(1-methyl-2-phenoxyethyl)benzylamine hydrochloride (63-92-3)

화학적 성질

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.

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

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]

유해성 정보

Regulatory Information · 2건

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 · 3건

Acute Tox. 4 (100%)

Acute toxicity (Oral) - Category 5

Carcinogenicity - Category 1B

안전 및 보호

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

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 · 1건

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) · 1건

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)

독성 정보

Carcinogen Classification · 6건

Phenoxybenzamine hydrochloride

Group 2B: Possibly carcinogenic to humans

Volume 24: (1980) Some Pharmaceutical Drugs

1987

1987

Phenoxybenzamine hydrochloride

Drug Induced Liver Injury · 6건

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 · 4건

0.00077

CALEPA

2.7

CALEPA

안전 데이터

wgk
3
rtecs
DP3750000
HS 번호
2922299000
risk_code
22-40
hazard_code
Xn
safety_code
22-36/37/39-45
Hazard Classifications
Acute Tox. 4 OralCarc. 2
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

FDA Pharmacological Classification · 2건

PHENOXYBENZAMINE HYDROCHLORIDE

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

MeSH Pharmacological Classification · 3건

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.

응용 분야 · 3건

개요Phenoxybenzamine 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.

용도Phenoxybenzamine (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.

일반 설명Phenoxybenzamine hydrochloride is a white crystalline powder. Melting point 137.5-140°C. Used as an antihypertensive drug.

상·하류 제품 정보

상류 원료

염화 티오닐염산페녹시(1-)-2-프로판올염화벤질에탄올아민2-[벤질(1-메틸-2-페녹시에틸)아미노]에탄올디클로로메탄

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