기본 정보
- CAS
90101-16-9- 표준 SMILES
CN1c2c(oc(=O)n(-c3ccccn3)c2=O)-c2ccccc2S1(=O)=O- InChIKey
OEHFRZLKGRKFAS-UHFFFAOYSA-N- 분자식
- C16H11N3O5S
- 평균 분자량
- 357.3 g/mol
- 단동위원소 질량
- 357.04194163
이름 및 식별자
- 우선 이름
- Droxicam
- IUPAC
- 5-methyl-6,6-dioxo-3-pyridin-2-yl-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dione
- 현지명
- 근막
- 영어명
- Droxicam
- 분자식
- C16H11N3O5S
- 분자량
- 357.34
이름 및 동의어
Droxicam90101-16-9DroxicamumF24ADO1E2DDTXSID70238035CHEBI:76133RefChem:1358475-methyl-3-(2-pyridyl)-2H,5H-1,3-oxazino(5,6-c)(1,2)benzothiazine-2,4(3H)dione-6,6-dioxideDTXCID90160526M01AC048-methyl-5-(pyridin-2-yl)-3-oxa-9??-thia-5,8-diazatricyclo(8.4.0.02,?)tetradeca-1(14),2(7),10,12-tetraene-4,6,9,9-tetrone5-Methyl-3-(pyridin-2-yl)benzo[5,6][1,2]thiazino[3,4-e][1,3]oxazine-2,4(3H,5H)-dione 6,6-dioxide
이름 더 보기
근막E-318DroxarDobenamDroxicam USP/EP/BP5-Methyl-3-(2-pyridyl)-2H,5H-1,3-oxazino[5,6-c][1,2]benzothiazine-2,4(3H)-dione 6,6-dioxide
Droxicam [INN]C16H11N3O5SE-3128MFCD008660325-methyl-6,6-dioxo-3-pyridin-2-yl-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dioneOmbolanDroxicam (INN)5-Methyl-3-(pyridin-2-yl)benzo[5,6][1,2]thiazino-[3,4-e][1,3]oxazine-2,4(3H,5H)-dione 6,6-dioxide
데이터베이스 식별자
- CAS
90101-16-9- PubChem CID
- 65679
- DTXSID
DTXSID70238035- ChEMBL
CHEMBL1213420- ChEBI
CHEBI:76133- UNII
- F24ADO1E2D
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 105 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 741
물리화학적 성질
- 녹는점
- 259 · 259-261°
- 끓는 점
- 554.7 · 554.7±60.0 °C(Predicted)
- 밀도
- 1.68 · 1.68±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열)
- 산도 계수 (pKa)
- 3.8 · 3.80±0.19(Predicted)
- 물리적 상태
- 고체
- 색상
- 황백색에서 연한 노란색
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
독성 정보
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Droxicam
vMost-DILI-concern
8
Withdrawn
DOI:10.1016/j.drudis.2016.02.015
안전 데이터
- 독성
- LD50 orally in male, female mice, and male, female rats: 6192, 8841, 1434, 1994 mg/kg (Soler, 1986)
화학 및 산업
약리 정보
ATC Code
M - Musculo-skeletal system；M01 - Antiinflammatory and antirheumatic products；M01A - Antiinflammatory and antirheumatic products, non-steroids；M01AC - Oxicams；M01AC04 - Droxicam
QM - Musculo-skeletal system；QM01 - Antiinflammatory and antirheumatic products；QM01A - Antiinflammatory and antirheumatic products, non-steroids；QM01AC - Oxicams；QM01AC04 - Droxicam
Protein BindingData not available for prodrug. See [DB00554] for information on the active compound.
PharmacodynamicsDroxicam is a prodrug of [DB00554]. Droxicam administration produces anti-inflammatory, antirheumatic, analgesic, and antipyretic effects similar to [DB00554].
Mechanism of ActionDroxicam is converted to [DB00554] via hydrolysis of the ester group in the intestine. Droxicam administration inhibits the synthesis of prostaglandins by cyclooxygenase enzymes.
Biological Half-LifeData not available for prodrug. See [DB00554] for information on the active compound.
Metabolism/MetabolitesConverted to [DB00554] via ester hydrolysis.
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Absorption, Distribution and Excretion
Tmax of 7 h. Bioavailability equivalent to [DB00554] which is thought to be completely absorbed in humans based on data from rabbits.
관련 반응
2건
화합물 노트
불러오는 중…