(S)-2-(2-Chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetamide
기본 정보
- CAS
444728-13-6- 표준 SMILES
NC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1- InChIKey
SRKXAUBVRPEIQR-AWEZNQCLSA-N- 분자식
- C15H15ClN2OS
- 평균 분자량
- 306.8 g/mol
- 단동위원소 질량
- 306.059362
이름 및 식별자
- 우선 이름
- (S)-2-(2-Chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetamide
- IUPAC
- (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
- 영어명
- Clopidogrel Impurity 7
- 분자식
- C15H15ClN2OS
- 분자량
- 307.79516
이름 및 동의어
444728-13-6(S)-2-(2-Chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetamide(S)-(+)-(2-chlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyrid-5-yl)acetamideClopidogrel amideSCHEMBL889210SRKXAUBVRPEIQR-AWEZNQCLSA-N5U8L4D6P37CS-0165226(+)-(S)-2-(2-chlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyrid-5yl)acetamide(alphaS)-alpha-(2-Chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-acetamide(s)-(+)-(2-chloro-phenyl)-(6,7-dihydro-4h-thieno[3,2-c]pyrid-5-yl)acetamide(S)-(+)-(2-chlorophenyl)(6,7-dihydro-4H-thieno[3,2-c]pyrid-5-yl)acetamide
이름 더 보기
Clopidogrel-5Clopidogrel Impurity 7Clopidogrel Impurities197Clopidogrel EP Impurity 7Clopidogrel EP Impurity E(S)Clopidogrel Impurity(S-isomer)Clopidogrel EP Impurity E (S-Isomer)Clopidogrel Impurity 27 (Clopidogrel EP Impurity E S-Isomer)(+)-α-(4,5,6,7-tetrahydrothieno[3,2-c]-5-pyridyl)-α-2-chlorophenylacetamide(+)-α-(4,5,6,7-tetrahydrothieno[3,2-c]-5-pyridyl)-α-2-chlorophenylacetamide
2-(2-Chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetamide, (S)-Thieno[3,2-c]pyridine-5(4H)-acetamide, alpha-(2-chlorophenyl)-6,7-dihydro-, (alphaS)-(S)-2-(2-Chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetamide; Thieno[3,2-c]pyridine-5(4H)-acetamide, a-(2-chlorophenyl)-6,7-dihydro-, (aS)- (9CI, ACI); (aS)-a-(2-Chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-acetamide (ACI); (S)-(+)-(2-Chlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyrid-5-yl)acetamide; (S)-2-(2-(S)-2-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetamide? (Clopidogrel Impurity pound(c)
데이터베이스 식별자
- CAS
444728-13-6- PubChem CID
- 9944392
- UNII
- 5U8L4D6P37
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 74.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 368
물리화학적 성질
- 녹는점
- 150 · 150-153 °C
- 끓는 점
- 471.7 · 471.7±45.0 °C(Predicted)
- 밀도
- 1.362 · 1.362±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 15.56 · 15.56±0.50(Predicted)
- 주요 응용
- 소분자 약용
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도(S)-2-(2-Chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetamide is an intermediate in the preparation of Clopidogrel(C587250) which is used as an antithrombotic.
관련 반응
3건
화합물 노트
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