1-(2,3,4-트리메톡시벤질)피페라진 디하이드로클로라이드

Trimetazidine Dihydrochloride

HCID 83201CAS 13171-25-0

기본 정보

표준 SMILES
COc1ccc(CN2CCNCC2)c(OC)c1OC.Cl.Cl
InChIKey
VYFLPFGUVGMBEP-UHFFFAOYSA-N
분자식
C14H24Cl2N2O3
평균 분자량
339.3 g/mol
단동위원소 질량
338.11639799

개요

Trimetazidine hydrochloride is an aromatic amine.

이름 및 식별자

우선 이름
Trimetazidine Dihydrochloride
IUPAC
1-[(2,3,4-trimethoxyphenyl)methyl]piperazine;dihydrochloride
현지명
1-(2,3,4-트리메톡시벤질)피페라진 디하이드로클로라이드
영어명
Trimetazidine dihydrochloride
분자식
C14H24Cl2N2O3
분자량
339.26

이름 및 동의어

Trimetazidine dihydrochloride13171-25-01-(2,3,4-Trimethoxybenzyl)piperazine dihydrochlorideTrimetazidine hydrochlorideKyurinettTrimetazidine HClTrimetazidine di-hclDTXSID1045407Trimethazidine dihydrochloride48V6723Z1PNSC-759317DTXCID9025407
이름 더 보기
1-(2,3,4-트리메톡시벤질)피페라진디하이드로클로라이드트라이메타지딘 다이하이드로클로라이드트리메타지딘이염산염s4004TakkmintvastarelYoshimilonVastarel FYoumetazineTrimetazidine 3HCl
RefChem:191733Dihydrochloride, Trimetazidine236-117-01-[(2,3,4-trimethoxyphenyl)methyl]piperazine dihydrochlorideTrimetazidine 2HClMFCD00243086Trimetazidine (dihydrochloride)Trimetazidine hydrochloride [JAN]

데이터베이스 식별자

CAS
13171-25-0
PubChem CID
83201
DTXSID
DTXSID1045407
ChEMBL
CHEMBL3561076
ChEBI
CHEBI:32262
UNII
48V6723Z1P
EC Number
236-117-0

물성

구조 계산 물성

극성 표면적
43 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
5
회전 가능 결합 수
5
무거운 원자 수
21

실험 및 물리화학적 성질

Collision Cross Section159.9 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점
231 · 231-235 °C(lit.)
저장 조건
Refrigerator
용해도
물에 잘 녹고 알코올에는 거의 녹지 않습니다.
물리적 상태
Solid
색상
흰색에서 황백색까지
Merck
14 · 14,9705

화학적 성질

Crystalline Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (98.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 111 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (98.2%)

안전 데이터

wgk
3
rtecs
TM2976100
독성
LD50 in male, female mice, rats (mg/kg): 91, 107, 124, 124 i.v.; 264, 245, 327, 288 i.p.; 528, 608, 1147, 987 orally (Harpey)
HS 번호
29339900
risk_code
22-36/37/38
hazard_code
Xn,Xi

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationDrugs used to cause dilation of the blood vessels.
응용 분야 · 2건

개요Trimetazidine (hydrochloride) (Item No. 18165) is an analytical reference standard that is structurally categorized as a piperazine. It decreases fatty acid β-oxidation by reversibly inhibiting mitochondrial long-chain 3-ketoacyl thiolase (IC50 = 75 nM). This, in turn, stimulates glucose oxidation. In ischemic heart, trimetazidine reduces ischemia/reperfusion injury in clinical trials. Compounds that reduce mitochondrial fatty acid β-oxidation, including trimetazidine, have shown clinical efficacy against chronic stable angina in clinical trials. In part because of its ability to ameliorate testosterone cardiotoxicity, trimetazidine has been classified as a prohibited substance by the World Anti-Doping Agency. This product is intended for research and forensic applications.

용도1-(2,3,4-Trimethoxybenzyl)piperazine dihydrochloride or trimetazidine dihydrochloride can be used as a building block to synthesize: Phenylpropyl trimetazidine derivatives with potent cerebral vasodilator activity.Benzoylguanidine-trimetazidine derivatives for myocardial ischemic-reperfusion activity studies.

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]
上海策嵘生物科技有限公司[email protected]
HubeiwidelychemicaltechnologyCo.,Ltd18627774460 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
山东雨禾医药科技有限公司15263077727

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2건

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