기본 정보
- CAS
74711-43-6- 표준 SMILES
CC(C(=O)O)c1ccc2c(c1)CC(=O)c1ccccc1S2- InChIKey
MUXFZBHBYYYLTH-UHFFFAOYSA-N- 분자식
- C17H14O3S
- 평균 분자량
- 298.4 g/mol
- 단동위원소 질량
- 298.06636548
개요
Zaltoprofen is an organic molecular entity.
이름 및 식별자
- 우선 이름
- Zaltoprofen
- IUPAC
- 2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoic acid
- 영어명
- 10,11-Dihydro-alpha-methyl-10-oxo-dibenzo[b,f]thiepin-2-acetic acid
- 분자식
- C17H14O3S
- 분자량
- 298.36
이름 및 동의어
zaltoprofen74711-43-6PeonCN-100ZaltoprofeneZaltoprofenoSoretonZaltoprofenumDTXSID0049076H8635NG3PYDTXCID0029002RefChem:904794
이름 더 보기
ZatobuprofenZaltoprofen, >=99%SalafapinonEinecs 277-973-5Zaltoprofen (CN100)Zaltoprofen (unspecified)Zaltoprofen, 10 mM in DMSOCN100
(2RS)-2-(10-Oxo-10,11-dihydrodibenzo(b,f)thiepin-2-yl)propanoic acid2-(10-oxo-2-thiatricyclo(9.4.0.03,?)pentadeca-1(11),3,5,7,12,14-hexaen-6-yl)propanoic acid277-973-52-(10-oxo-10,11-dihydrodibenzo[b,f]thiepin-2-yl)propanoic acid89482-00-8SoletonZaltoprofen [INN]CN 100
데이터베이스 식별자
- CAS
74711-43-6- PubChem CID
- 5720
- DTXSID
DTXSID0049076- ChEMBL
CHEMBL1765291- ChEBI
CHEBI:32306- UNII
- H8635NG3PY
- EC Number
- 277-973-5
- Nikkaji
- J22.089B
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 79.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 422
물리화학적 성질
- 녹는점
- 129 · 129-1310C
- 끓는 점
- 500.5 · 500.5±50.0 °C(Predicted)
- 밀도
- 1.329 · 1.329±0.06 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 4.21 · 4.21±0.10(Predicted)
- 색상
- 황백색에서 연한 노란색
- Merck
- 14 · 14,10112
- InChI
- InChI=1S/C17H14O3S/c1-10(17(19)20)11-6-7-15-12(8-11)9-14(18)13-4-2-3-5-16(13)21-15/h2-8,10H,9H2,1H3,(H,19,20)
- InChIKey
- MUXFZBHBYYYLTH-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C2SC3=CC=CC=C3C(CC2=C1)=O)(C)C(=O)O
화학적 성질
Off-White to Pale Yellow Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
독성 정보
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
Zaltoprofen
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
안전 데이터
- rtecs
- HQ2526700
- HS 번호
- 2934.99.4400
화학 및 산업
약리 정보
Metabolism/MetabolitesZaltoprofen has known human metabolites that include Zaltoprofen S-oxide, (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoyloxy]oxane-2-carboxylic acid, and 10-hydroxy-zaltoprofen.
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.
Agents that increase uric acid excretion by the kidney (URICOSURIC AGENTS), decrease uric acid production (antihyperuricemics), or alleviate the pain and inflammation of acute attacks of gout.
응용 분야
용도Anti-inflammatory activity resides in (S)-enantiomer.
공급사100 곳
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