기본 정보
- CAS
27035-30-9- 표준 SMILES
COc1ccc2c(c1)c(CC(=O)NO)c(C)n2C(=O)c1ccc(Cl)cc1- InChIKey
AJRNYCDWNITGHF-UHFFFAOYSA-N- 분자식
- C19H17ClN2O4
- 평균 분자량
- 372.8 g/mol
- 단동위원소 질량
- 372.0876847
개요
Oxametacin is a hydroxamic acid obtained by formal condensation of the carboxy group of indometacin with the amino group of hydroxylamine. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic and an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. It is a hydroxamic acid, an aromatic ether, an organochlorine compound and a N-acylindole. It is functionally related to an indometacin.
이름 및 식별자
- 우선 이름
- Oxametacin
- IUPAC
- 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-hydroxyacetamide
- 현지명
- 옥사메타신
- 영어명
- oxametacin
- 분자식
- C19H17ClN2O4
- 분자량
- 372.806
이름 및 동의어
Oxametacin27035-30-9OxametacineIndoxamic acidOxamethacinOxametacinaOxametacinum8G02RSW5CM1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetohydroxamic acid2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-hydroxyacetamide1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-3-indolylacetohydroxamic acid1-(4-Chlorobenzoyl)-N-hydroxy-5-methoxy-2-methyl-1H-indole-3-acetamide
이름 더 보기
옥사메타신FlogarABC-8/31-(p-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetohydroxamic acid1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetohydroxamic acid2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]-N-hydroxy-acetamide
CHEBI:76255DTXSID701815171H-Indole-3-acetamide, 1-(4-chlorobenzoyl)-N-hydroxy-5-methoxy-2-methyl-1-(4-chlorobenzoyl)-methyl-5-methoxy-3-indolylacetohydroxamic acid2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)-N-hydroxyacetamideRefChem:168817DTXCID10104008M01AB13
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 80.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 524
물리화학적 성질
- 녹는점
- 181 · 181-182° (dec)
- 밀도
- 1.2671 · 1.2671 (rough estimate)
- 굴절률
- 1.68 · 1.6800 (estimate)
- 용해도
- DMSO (약간 용해됨), 메탄올(가열, 약간)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 9 · 9.00±0.20(Predicted)
- 색상
- 디옥산으로부터 결정화된 결정
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 독성
- LD50 orally in rats: 96 mg/kg (De Martiis, U.S. patent)
화학 및 산업
약리 정보
ATC Code
M - Musculo-skeletal system
QM - Musculo-skeletal system
응용 분야
개요Oxametacine is prepared by the acylation of hydroxylamine with indomethacin acid chloride. Oxametacine at a dose of 100 mg is reported to be as effective as 50 mg of indomethacin in reducing pain and inflammation with a lower incidence of adverse effects.
상·하류 제품 정보
상류 원료
공급사5 곳
湖南瑞威尔生物科技有限公司18627957289 18173226957 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
추가 설명
정의ChEBI: A hydroxamic acid obtained by formal condensation of the carboxy group of indometacin with the amino group of hydroxylamine.
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