기본 정보
- CAS
33286-22-5- 표준 SMILES
COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1.Cl- InChIKey
HDRXZJPWHTXQRI-BHDTVMLSSA-N- 분자식
- C22H27ClN2O4S
- 평균 분자량
- 451 g/mol
- 단동위원소 질량
- 450.13800602
개요
Diltiazem Hydrochloride can cause developmental toxicity according to state or federal government labeling requirements.
이름 및 식별자
- 우선 이름
- Diltiazem Hydrochloride
- IUPAC
- [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride
- 영어명
- Diltiazem hydrochloride
- 분자식
- C22H27ClN2O4S
- 분자량
- 450.98
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
33286-22-5、38411-61-9- PubChem CID
- 62920
- DTXSID
DTXSID8040147- ChEMBL
CHEMBL1697- ChEBI
CHEBI:645509- UNII
- OLH94387TE
- EC Number
- 251-443-3、253-918-0
물성
구조 계산 물성
- 극성 표면적
- 84.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 565
실험 및 물리화학적 성질
Human Drugs
Breast Feeding; Lactation; Milk, Human; Antihypertensive Agents; Calcium Channel Blockers; Antiarrhythmics; Vasodilator Agents
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
물리화학적 성질
- 녹는점
- 212 · 212-214 °C
- 밀도
- 1.3 g/cm3 · 1.30 g/cm3
- 굴절률
- 118 ° · 118 ° (C=1, H2O)
- 인화점
- 2 ℃ · 2℃
- 저장 조건
- 2 · 2-8°C
- 용해도
- 물, 메탄올 및 염화메틸렌에 잘 녹고, 무수 에탄올에는 약간 녹습니다.
- 물리적 상태
- 가루
- 색상
- 흰색에서 황백색까지
- 수소이온지수(pH)
- pH (10g/l, 25℃) : 4.3~5.3
- 수용성
- 녹는
- Merck
- 13 · 13,3226
- BRN
- 4228706 · 4228706
- 안정성
- 1 · 제공된 대로 구매일로부터 1년 동안 안정적입니다. DMSO 또는 증류수에 용해된 용액은 -20°C에서 최대 3개월 동안 보관할 수 있습니다.
- 화장품 원료 기능
- 수렴제피부 보호
- InChI
- 1S/C22H26N2O4S.ClH/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;/h5-12,20-21H,13-14H2,1-4H3;1H/t20-,21+;/m1./s1
- InChIKey
- HDRXZJPWHTXQRI-BHDTVMLSSA-N
- SMILES
- Cl.COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O
- EPA
- 1 · 1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, hydrochloride (1:1), (2S,3S)- (33286-22-5)
화학적 성질
Diltiazem hydrochloride is a white to off-white crystalline powder with a bitter taste. It is soluble in water, methanol, and chloroform. It has a molecular weight of 450.98. Diltiazem hydrochloride injection is a clear, colorless, sterile, nonpyrogenic solution. It has a pH range of 3.7 to 4.1.
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (99.2%): 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 119 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Hazard Traits - Developmental Toxicity
Diltiazem hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
독성 정보
Treatment
In the event of overdose or exaggerated response, appropriate supportive measures should be employed in addition to gastrointestinal decontamination. If bradycardia and/or high-degree AV block occurs, administer atropine (0.60 to 1.0 mg). If there is no response to vagal blockage, administer isoproterenol cautiously. Fixed high-degree AV block should be treated with cardiac pacing. In cases of cardiac failure, administer inotropic agents (isoproterenol, dopamine, or dobutamine) and diuretics. If hypotension occurs, use vasopressors (e.g. dopamine or levarterenol bitartrate). (L1712)
Health Effects
Because of its negative inotropic effect, diltiazem causes a modest decrease in heart muscle contractility and reduces myocardium oxygen consumption. Its negative chronotropic effect results in a modest lowering of heart rate, due to slowing of the sinoatrial node. It results in reduced myocardium oxygen consumption. Because of its negative dromotropic effect, conduction through the AV (atrioventricular) node is slowed, which increases the time needed for each beat. This results in reduced myocardium oxygen consumption. A reflex sympathetic response, caused by the peripheral dilation of vessels and the resulting drop in blood pressure, works to counteract the negative inotropic, chronotropic and dromotropic effects of diltiazem. Undesirable effects include hypotension, bradycardia, dizziness, and flushing. (Wikipedia)
Toxicity Summary
Possibly by deforming the channel, inhibiting ion-control gating mechanisms, and/or interfering with the release of calcium from the sarcoplasmic reticulum, diltiazem, like verapamil, inhibits the influx of extracellular calcium across both the myocardial and vascular smooth muscle cell membranes. The resultant inhibition of the contractile processes of the myocardial smooth muscle cells leads to dilation of the coronary and systemic arteries and improved oxygen delivery to the myocardial tissue.
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Diltiazem hydrochloride
vMost-DILI-concern
4
Warnings & precautions
DOI:10.1016/j.drudis.2016.02.015
안전 데이터
- wgk
- 3
- rtecs
- DL0310000
- ridadr
- 3249
- 독성
- LD50 in male, female mice, male, female rats (mg/kg): 61, 58, 38, 39 i.v.; 260, 280, 520, 550 s.c.; 740, 640, 560, 610 orally (Nagao, 1972)
- HS 번호
- 29349990
- risk_code
- 22-40-36/37/38-36-20/21/22-11
- hazard_code
- Xn,Xi,F
- safety_code
- 36-45-36/37-26-16
- 포장분류
- III
- 위험 등급
- 6.1(b)
- 기존화학 물질
- KE-00136
- F 고인화성물질
- 8-10
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
FDA Pharmacological Classification
DILTIAZEM HCI
Calcium Channel Blocker [EPC]; Calcium Channel Antagonists [MoA]; Cytochrome P450 3A4 Inhibitors [MoA]
DILTIAZEM HCL ER
Cytochrome P450 3A4 Inhibitors [MoA]; Calcium Channel Antagonists [MoA]; Calcium Channel Blocker [EPC]
DILTIAZEM HYDROCHLORIDE
Calcium Channel Blocker [EPC]; Calcium Channel Antagonists [MoA]; Cytochrome P450 3A4 Inhibitors [MoA]
MeSH Pharmacological Classification
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.
A class of drugs that act by selective inhibition of calcium influx through cellular membranes.
Agents that affect the rate or intensity of cardiac contraction, blood vessel diameter, or blood volume.
Drugs used to cause dilation of the blood vessels.
용도 및 제조
응용 분야
용도An antianginal, antihypertensive. Regulates Calcium release from intracellular stores in neutrophils
일반 설명Diltiazem hydrochloride is a calcium ion cellular influx inhibitor. It was developed and introduced inJapan as a cardiovascular agent to treat angina pectoris. Itwas observed to dilate peripheral arteries and arterioles. Thedrug increases myocardial oxygen supply by relieving coronaryartery spasm and reduces myocardial oxygen demandby decreasing heart rate and reducing overload. Diltiazemhydrochloride is used in patients with variant angina. Thedrug has electrophysiological properties similar to those ofverapamil and is used in clinically similar treatment conditionsas an antiarrhythmic agent, but it is less potent.The drug is absorbed rapidly and almost completely fromthe digestive tract. It reaches peak plasma levels within 1hour after administration in gelatin capsules. Oral formulationson the market are sustained-release preparations providingpeak plasma levels 3 to 4 hours after administration.
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
추가 설명
정의ChEBI: Diltiazem hydrochloride is a hydrochloride salt resulting from the reaction of equimolar amounts of diltiazem and hydrogen chloride. A calcium-channel blocker and vasodilator, it is used in the management of angina pectoris and hypertension. It has a role as an antihypertensive agent, a vasodilator agent and a calcium channel blocker. It contains a diltiazem(1+). It is an enantiomer of an ent-diltiazem hydrochloride.
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