기본 정보
- CAS
229308-90-1- 표준 SMILES
O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cc(O)cc1Cl- InChIKey
BTDFYMBLEDMWOK-UHFFFAOYSA-N- 분자식
- C16H13Cl2NO5
- 평균 분자량
- 370.2 g/mol
- 단동위원소 질량
- 369.0170779
이름 및 식별자
- 우선 이름
- 4'-Hydroxy Aceclofenac
- IUPAC
- 2-[2-[2-(2,6-dichloro-4-hydroxyanilino)phenyl]acetyl]oxyacetic acid
- 현지명
- 4'-하이드록시아세클로페낙
- 영어명
- 4'-HYDROXY ACECLOFENAC
- 분자식
- C16H13Cl2NO5
- 분자량
- 370.18
이름 및 동의어
4'-Hydroxy Aceclofenac229308-90-1DTXSID20431711RefChem:283432DTXCID103825412-[2-[2-(2,6-dichloro-4-hydroxyanilino)phenyl]acetyl]oxyacetic acid2-(2-(2-((2,6-Dichloro-4-hydroxyphenyl)amino)phenyl)acetoxy)acetic acidBenzeneacetic acid, 2-[(2,6-dichloro-4-hydroxyphenyl)amino]-, carboxymethyl ester4-Hydroxy Aceclofenac2-[(2,6-Dichloro-4-hydroxyphenyl)amino]benzeneacetic Acid Carboxymethyl EsterN7KEV5MY4GSCHEMBL23691081
이름 더 보기
4'-하이드록시아세클로페낙4-HYDROXY ACECLOFECAceclofenac Impurity 10（4'-Hydroxy Aceclofenac）2-[(2,6-Dichloro-4-hydroxyphenyl)amino]benzeneacetic Acid Carboxymethyl Este4-hydroxy aceclofenac-D4Q: What is 4-hydroxy aceclofenac-D4 Q: What is the CAS Number of 4-hydroxy aceclofenac-D4 Q: What is the storage condition of 4-hydroxy aceclofenac-D4
SCHEMBL29815788IH23898DB-234741NS00040767({[2-(2,6-Dichloro-4-hydroxyanilino)phenyl]acetyl}oxy)acetic acid(2-{2-[(2,6-Dichloro-4-hydroxyphenyl)amino]phenyl}acetoxy)acetic acid
데이터베이스 식별자
- CAS
229308-90-1- PubChem CID
- 9842299
- DTXSID
DTXSID20431711- UNII
- N7KEV5MY4G
- Nikkaji
- J765.589D
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 95.9 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 438
화학 및 산업
약리 정보
Metabolism/Metabolites
4'-hydroxy-aceclofenac has known human metabolites that include (2S,3S,4S,5R)-6-[4-[2-[2-(carboxymethoxy)-2-oxoethyl]anilino]-3,5-dichlorophenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid and 2-[2-[2-(2,6-dichloro-4-sulfooxyanilino)phenyl]acetyl]oxyacetic acid.
응용 분야
용도A metabolite of Aceclofenac
공급사20 곳
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