기본 정보
- CAS
1148015-30-8- 표준 SMILES
COC(=O)[C@H](c1ccccc1Cl)N1CCC(S)/C(=C\C(=O)O)C1- InChIKey
CWUDNVCEAAXNQA-AWGNNQSZSA-N- 분자식
- C16H18ClNO4S
- 평균 분자량
- 355.8 g/mol
- 단동위원소 질량
- 355.0645069
개요
2-(1-(1-(2-chlorophenyl)-2-methoxy-2-oxoethyl)-4-sulfanyl-3-piperidinylidene) acetic acid is under investigation in clinical trial NCT03774394 (Impact of Chronic Kidney Disease on Clopidogrel Effects in Diabetes Mellitus).
이름 및 식별자
- 우선 이름
- 2-(1-(1-(2-Chlorophenyl)-2-methoxy-2-oxoethyl)-4-sulfanyl-3-piperidinylidene) acetic acid
- IUPAC
- (2Z)-2-[1-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]acetic acid
이름 및 동의어
1148015-30-86Z681APD511-Piperidineacetic acid, 3-(carboxymethylene)-alpha-(2-chlorophenyl)-4-mercapto-, 1-methyl ester, (alphaS,3Z)-2-(1-(1-(2-CHLOROPHENYL)-2-METHOXY-2-OXOETHYL)-4-SULFANYL-3-PIPERIDINYLIDENE) ACETIC ACIDRefChem:1060628Clopidogrel active metabolite(Z)-2-(1-((S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl)-4-mercaptopiperidin-3-ylidene)acetic acidclopidogrel (active metabolite)1147350-77-3Clopidrogrel active metaboliteUNII-6Z681APD51GTPL1772
이름 더 보기
SCHEMBL100526172-(1-((S)-1-(2-Chlorophenyl)-2-methoxy-2-oxoethyl)-4-mercaptopiperidin-3-ylidene)acetic acidAT43879Q27076116(2Z)-2-[1-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]acetic acid1-Methyl (alphaS,3Z)-3-(carboxymethylene)-alpha-(2-chlorophenyl)-4-mercapto-1-piperidineacetate1-Piperidineacetic acid, 3-(carboxymethylene)--(2-chlorophenyl)-4-mercapto-, 1-methyl ester, (S)-1-PIPERIDINEACETIC ACID, 3-(CARBOXYMETHYLENE)-.ALPHA.-(2-CHLOROPHENYL)-4-MERCAPTO-, 1-METHYL ESTER, (.ALPHA.S,3Z)-
데이터베이스 식별자
- CAS
1148015-30-8
물성
구조 계산 물성
- XLogP
- -0.1
- 극성 표면적
- 67.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 485
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