기본 정보
- CAS
144457-28-3- 표준 SMILES
O=C(O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1- InChIKey
DCASRSISIKYPDD-AWEZNQCLSA-N- 분자식
- C15H14ClNO2S
- 평균 분자량
- 307.8 g/mol
- 단동위원소 질량
- 307.0433776
개요
carboxylic acid derivative clopidogrel metabolite; structure in first source
이름 및 식별자
- 우선 이름
- Clopidogrel carboxylic acid
- IUPAC
- (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid
- 현지명
- 클로피도그렐카르복실산
- 영어명
- Clopidogrel carboxylic acid
- 분자식
- C15H14ClNO2S
- 분자량
- 307.8
이름 및 동의어
144457-28-3clopidogrel carboxylic acidSR-263341B9Z4634CDDTXSID10891466SR26334Thieno(3,2-C)pyridine-5(4H)-acetic acid, alpha-(2-chlorophenyl)-6,7-dihydro-, (alphaS)-CHEBI:83504Thieno[3,2-c]pyridine-5(4H)-acetic acid, alpha-(2-chlorophenyl)-6,7-dihydro-, (alphaS)-RefChem:127079DTXCID301030578(S)-2-(2-Chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid
이름 더 보기
클로피도그렐카르복실산Clopidogrel-1Clopidogrelat-13C-d4CLOPIDOGREL EP IMP AClopidogrel Impurity A1Clopidogrel Impurities201Clopidogrel EP Impurity A1(S)-Clopidogrel Carboxylic AcidClopidogrel EP Impurity A H2SO4Clopidogrel carboxylic acid (Standard)
Clopidogrel EP Impurity A(2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid144457-28-3(free base)UNII-1B9Z4634CDDCASRSISIKYPDD-AWEZNQCLSA-N(S)-2-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid compound with sulfuric acidSR 26334Clopidogrel impurity A CRS
데이터베이스 식별자
- CAS
144457-28-3- PubChem CID
- 9861403
- DTXSID
DTXSID10891466- UNII
- 1B9Z4634CD
- Nikkaji
- J1.044.091B
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 68.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 368
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Metabolite of Clopidogrel
물리화학적 성질
- 녹는점
- 139 · 139-141°C
- 끓는 점
- 447.3 · 447.3±45.0 °C(Predicted)
- 밀도
- 1.405 · 1.405±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 산도 계수 (pKa)
- 1.61 · 1.61±0.10(Predicted)
- InChI
- InChI=1/C15H14ClNO2S/c16-12-4-2-1-3-11(12)14(15(18)19)17-7-5-13-10(9-17)6-8-20-13/h1-4,6,8,14H,5,7,9H2,(H,18,19)/t14-/s3
- InChIKey
- DCASRSISIKYPDD-WDHUHKLTNA-N
- SMILES
- N1(CCC2SC=CC=2C1)[C@H](C(O)=O)C1C=CC=CC=1Cl |&1:9,r|
화학적 성질
Light-Tan Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- HS 번호
- 29349990
화학 및 산업
약리 정보
MeSH Pharmacological Classification
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.
응용 분야
용도A metabolite of the drug Clopidogrel
상·하류 제품 정보
하류 제품
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