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Clonidine Hydrochloride

HCID 20179
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
4205-91-8
표준 SMILES
Cl.Clc1cccc(Cl)c1NC1=NCCN1
InChIKey
ZNIFSRGNXRYGHF-UHFFFAOYSA-N
분자식
C9H10Cl3N3
평균 분자량
266.6 g/mol
단동위원소 질량
264.99403036

개요

Clonidine hydrochloride is a dichlorobenzene.

이름 및 식별자

우선 이름
Clonidine Hydrochloride
IUPAC
N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
영어명
Clonidine hydrochloride
분자식
C9H10Cl3N3
분자량
266.55

이름 및 동의어

CLONIDINE HYDROCHLORIDE4205-91-8Clonidine HClDuraclonKapvayST-155JenlogaDTXSID8044670Onyda XRNSC-756699W76I6XXF062-((2,6-Dichlorophenyl)imino)imidazolidine monohydrochloride
이름 더 보기
dcai2-(2,6-DICHLOROANILINO)-2-IMIDAZOLINE HYDROCHLORIDEDIXARIThemitonNeuclonatensinacapresinclofelinhaemiton
Benzenamine, 2,6-dichloro-N-2-imidazolidinylidene-, monohydrochlorideDTXCID60246702-[(2,6-Dichlorophenyl)imino]imidazolidine monohydrochlorideClonidine HCICatapres tts 1Catapres tts 2Catapres tts 3Catapres p.l.

데이터베이스 식별자

CAS
4205-91-8
PubChem CID
20179
DTXSID
DTXSID8044670
ChEMBL
CHEMBL1705
ChEBI
CHEBI:3758
UNII
W76I6XXF06
EC Number
224-121-5

물성

구조 계산 물성보충 중

극성 표면적
36.4 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
15
형식 전하
0
복잡도
222

실험 및 물리화학적 성질

Human Drugs · 3건

Breast Feeding; Lactation; Milk, Human; Antihypertensive Agents; Adrenergic alpha-2 Receptor Agonists

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Collision Cross Section143.3 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점
312 °C · 312 °C
저장 조건
2 · 2-8°C
용해도
2 O: · H2O: 50 mg/mL, 투명, 무색
물리적 상태
고체
색상
하얀색
수소이온지수(pH)
pH(50g/l, 25℃) : 3.5~6.0
수용성
물(50 mg/ml), DMSO(75 mM), 메탄올, 클로로포름(약간 용해됨) 및 탈수 알코올에 용해됩니다.
Merck
14 · 14,2390
BRN
4163525 · 4163525
BCS Class
1 · 1 (LogP), 3 (CLogP)
안정성
흡습성
주요 응용
의약품(소분자)
InChI
InChI=1S/C9H9Cl2N3.ClH/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;/h1-3H,4-5H2,(H2,12,13,14);1H

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P270, P271, P284, P301+P316, P304+P340, P316, P320, P321, P330, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information1H-Imidazol-2-amine, N-(2,6-dichlorophenyl)-4,5-dihydro-, monohydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzenamine, 2,6-dichloro-N-2-imidazolidinylidene-, monohydrochloride: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (100%)

독성 정보

Treatment · 1건

There is no specific antidote for clonidine overdosage. Clonidine overdosage may result in the rapid development of CNS depression; therefore, induction of vomiting with ipecac syrup is not recommended. Gastric lavage may be indicated following recent and/or large ingestions. Administration of activated charcoal and/or a cathartic may be beneficial. Supportive care may include atropine sulfate for bradycardia, intravenous fluids and/or vasopressor agents for hypotension and vasodilators for hypertension. Naloxone may be a useful adjunct for the management of clonidine-induced respiratory depression, hypotension and/or coma; blood pressure should be monitored since the administration of naloxone has occasionally resulted in paradoxical hypertension. Tolazoline administration has yielded inconsistent results and is not recommended as first-line therapy. (L1712)

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

Hepatic. Metabolized via minor pathways. The major metabolite, <i>p</i>-hydroxyclonidine, is present in concentrations less than 10% of those of unchanged clonidine in urine. Four metabolites have been detected, but only <i>p</i>-hydroxyclonidine has been identified. Half Life: 6-20 hours; 40-60% is excreted in urine unchanged, 20% is excreted in feces. Less than 10% is excreted by <i>p</i>-hydroxyclonidine.

FDA Pharmacological Classification · 4건

CLONIDINE HCI

Central alpha-2 Adrenergic Agonist [EPC]; Adrenergic alpha2-Agonists [MoA]

CLONIDINE HYDROCHLORIDE

Adrenergic alpha2-Agonists [MoA]; Central alpha-2 Adrenergic Agonist [EPC]

MeSH Pharmacological Classification · 4건

Compounds capable of relieving pain without the loss of CONSCIOUSNESS.

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 that inhibit the actions of the sympathetic nervous system by any mechanism. The most common of these are the ADRENERGIC ANTAGONISTS and drugs that deplete norepinephrine or reduce the release of transmitters from adrenergic postganglionic terminals (see ADRENERGIC AGENTS). Drugs that act in the central nervous system to reduce sympathetic activity (e.g., centrally acting alpha-2 adrenergic agonists, see ADRENERGIC ALPHA-AGONISTS) are included here.

Compounds that bind to and activate ADRENERGIC ALPHA-2 RECEPTORS.

용도 및 제조

Uses · 1건

May be used as an adjunct in the treatment of hypertension, as an epidural infusion as an adjunct treatment in the management of severe cancer pain that is not relieved by opiate analgesics alone, for differential diagnosis of pheochromocytoma in hypertensive patients, prophylaxis of vascular migraine headaches, treatment of severe dysmenorrhea, management of vasomotor symptoms associated with menopause, rapid detoxification in the management of opiate withdrawal, treatment of alcohol withdrawal used in conjunction with benzodiazepines, management of nicotine dependence, topical use to reduce intraocular pressure in the treatment of open-angle and secondary glaucoma and hemorrhagic glaucoma associated with hypertension, and in the treatment of attention-deficit hyperactivity disorder (ADHD).

관련 반응

2건
반응 기록 만들기
HRID 716609 반응식
HRID 716609반응물로uspto-grants-2015_11
HRID 1527648 반응식
HRID 1527648반응물로uspto-grants-2015_07

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
InChIKey
GLEWMLFXCSBZLK-UHFFFAOYSA-N
SMILES
C1(=C(Cl)C=CC=C1Cl)NC1=NCCN1.Cl
EPA
1 H-Imidazol-2-amine, · 1H-Imidazol-2-amine, N-(2,6-dichlorophenyl)-4,5-dihydro-, hydrochloride (1:1) (4205-91-8)

화학적 성질

White Solid

Exposure RoutesWell absorbed following oral administration. Bioavailability following chronic administration is approximately 65%.
Toxicity Summary · 1건

Clonidine acts as an agonist at presynaptic alpha(2)-receptors in the nucleus tractus solitarius of the medulla oblongata. Stimulation of these receptors results in the supression of efferent sympathetic pathways and the subsequent decrease in blood pressure and vascular tone in the heart, kidneys, and peripheral vasculature. Clonidine is also a partial agonist at presynaptic alpha(2)-adrenergic receptors of peripheral nerves in vascular smooth muscle.

Signs and SymptomsSymptoms of overdose include constriction of pupils of the eye, drowsiness, high blood pressure followed by a drop in pressure, irritability, low body temperature, slowed breathing, slowed heartbeat, slowed reflexes, and weakness.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Drug Induced Liver Injury · 6건

Drug Induced Liver Injury Rank (DILIrank 2.0)

Clonidine hydrochloride

Ambiguous-DILI-concern

3

Adverse reactions

DOI:10.1016/j.drudis.2016.02.015

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Toxicity DataLD50: 150 mg/kg (oral, rat) LD50: 30 mg/kg (oral, dog)

안전 데이터

wgk
3
rtecs
NJ2490000
ridadr
UN 2811 6.1/PG 1
독성
LD50 in mice, rats (mg/kg): 328, 270 orally; 18, 29 i.v. (Walland)
HS 번호
2933290000
risk_code
25-26
hazard_code
T+
safety_code
22-26-28-36/37/39-45
포장분류
III
위험 등급
6.1(b)
F 고인화성물질
10
Hazard Classifications
Acute Tox. 1 InhalationAcute Tox. 3 Oral
스토리지 클래스
6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
응용 분야 · 2건

용도Clonidine hydrochloride tablets are indicated in the treatment of hypertension. It has found new uses, including treatment of some types of neuropathic pain, opioid detoxification, sleep hyperhidrosis, anaesthetic use, and off-label, to counter the side effects of stimulant medications such as methylphenidate or amphetamine. It is becoming a more accepted treatment for insomnia, as well as for relief of menopausal symptoms. Clonidine(4205-91-8) is increasingly used in conjunction with stimulants to treat attention-deficit hyperactivity disorder (ADHD).

일반 설명Clonidine hydrochloride, 2-[(2,6-dichlorophenyl)imino]imidazolidine monohydrochloride(Catapres), was the first antihypertensive known to acton the CNS. It was synthesized in 1962 as a derivativeof the known -sympathomimetic drugs naphazoline andtolazoline, potential nasal vasoconstrictors, but instead itproved to be effective in the treatment of mild-to-severe hypertension.Clonidine hydrochloride acts by both peripheral andcentral mechanisms in the body to affect blood pressure. Itstimulates the peripheral -adrenergic receptors to producevasoconstriction, resulting in a brief period of hypertension.

상·하류 제품 정보

상류 원료

2,6-디클로로아닐린요오드 메탄수소thiocyanate에틸렌디아민에틸알코올Dichlorphenamide bulk powder클로니딘염산물