Ticlopidine Hydrochloride
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기본 정보
- CAS
53885-35-1- 표준 SMILES
Cl.Clc1ccccc1CN1CCc2sccc2C1- InChIKey
MTKNGOHFNXIVOS-UHFFFAOYSA-N- 분자식
- C14H15Cl2NS
- 평균 분자량
- 300.2 g/mol
- 단동위원소 질량
- 299.03022584
개요
Ticlopidine Hydrochloride is the hydrochloride salt form of ticlopidine, a thienopyridine derivative with anticoagulant property. Ticlopidine hydrochloride irreversibly inhibits adenosine-diphosphate (ADP)-induced platelet-fibrinogen binding by binding to the glycoprotein (GP) IIb/IIIA complex, one of the two purinergic receptors activated by ADP. Inhibition of the receptor activation causes the inhibition of adenylyl cyclase, results in decreased levels of cyclic adenosine monophosphate and thereby interferes with platelet membrane function and subsequent, platelet-platelet interaction, release of platelet granule constituents and prolongation of bleeding time.
이름 및 식별자
- 우선 이름
- Ticlopidine Hydrochloride
- IUPAC
- 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
- 영어명
- Ticlopidine hydrochloride
- 분자식
- C14H14ClNS.ClH
- 분자량
- 300.25
이름 및 동의어
TICLOPIDINE HYDROCHLORIDE53885-35-1Ticlopidine HCLTiclidPanaldineTiclodixTiclodoneTiklid5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine hydrochlorideIpaton53-32CNSC-759165
이름 더 보기
Soper4-c-32TiklydIparazin
A1L4914FMFThieno(3,2-c)pyridine, 5-((2-chlorophenyl)methyl)-4,5,6,7-tetrahydro-, hydrochlorideHydrochloride, TiclopidineDTXSID802021415-(o-Chlorobenzyl)-4,5,6,7-tetrahydrothieno(3,2-c)pyridinium chloride5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno(3,2-c)pyridine hydrochlorideCHEBI:9589RefChem:57661
데이터베이스 식별자
- CAS
53885-35-1- PubChem CID
- 65335
- DTXSID
DTXSID80202141- ChEMBL
CHEMBL1717- UNII
- A1L4914FMF
- EC Number
- 258-837-4
물성
구조 계산 물성보충 중
- 극성 표면적
- 31.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 261
실험 및 물리화학적 성질
Solubility2.9 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Collision Cross Section154.8 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 205 °C · 205°C
- 밀도
- 1.37 g/cm3 · 1.37 g/cm3
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 물과 무수 에탄올에 거의 용해되지 않으며 에틸 아세테이트에는 매우 약간 용해됩니다.
- 산도 계수 (pKa)
- 7.64 · 7.64(at 25℃)
- 물리적 상태
- Solid
- 색상
- 하얀색
- 수용성
- 100 mM, · 물에서는 100mM, DMSO에서는 100mM에 용해됩니다.
- Merck
- 14 · 14,9421
- 주요 응용
- 법의학 및 독성학의약품(소분자)수의사
- InChI
- InChI=1S/C14H14ClNS.ClH/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14;/h1-4,6,8H,5,7,9-10H2;1H
- InChIKey
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 208 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Other Safety InformationIMAP assessments - Thieno[3,2-c]pyridine, 5-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-, hydrochloride: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
독성 정보
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Ticlopidine hydrochloride
vMost-DILI-concern
4
Warnings & precautions
DOI:10.1016/j.drudis.2016.02.015
안전 데이터
- wgk
- 3
- rtecs
- XJ9089100
- 독성
- LD50 in mice (mg/kg/24 hrs): 55 i.v.; >300 orally (Castaigne)
- HS 번호
- 2934990002
- risk_code
- 22-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 36-37/39-26
- 기존화학 물질
- KE-05-0337
- Hazard Classifications
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Fibrinolysin or agents that convert plasminogen to FIBRINOLYSIN.
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
Compounds that bind to and block the stimulation of PURINERGIC P2Y RECEPTORS. Included under this heading are antagonists for specific P2Y receptor subtypes.
Drugs and compounds which inhibit or antagonize the biosynthesis or actions of CYTOCHROME P-450 CYP2C19.
응용 분야
용도Ticlopidine hydrochloride is a selective P2Y12 receptor antagonist. It inhibits ADP-induced platelet aggregation and displays antithrombotic activity following oral administration in vivo.
상·하류 제품 정보
상류 원료
관련 반응
15건
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