Seratrodast
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기본 정보
- CAS
103186-19-2- 표준 SMILES
CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccccc2)=C(C)C1=O- InChIKey
ZBVKEHDGYSLCCC-UHFFFAOYSA-N- 분자식
- C22H26O4
- 평균 분자량
- 354.4 g/mol
개요
Seratrodast is an organic molecular entity.
이름 및 식별자
- 우선 이름
- Seratrodast
- IUPAC
- 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid
- 영어명
- BRONICA
- 분자식
- C22H26O4
- 분자량
- 354.43944
이름 및 동의어
SERATRODAST112665-43-7Bronica7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acidAbbott 73001AA-2414ABT-001Abbott-73001A-73001NSC-7596404U58JM421NBenzeneheptanoic acid, zeta-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-, (+-)-
이름 더 보기
7-(3,5,6-trimethyl-1,4-benzoquinon-2-yl)-7-phenylheptanoic acidseratrodastumRefChem:884908R03DX06692-169-8(+-)-7-(3,5,6-Trimethyl-1,4-benzoquinon-2-yl)-7-phenylheptanoic acid103185-78-0MFCD00875701
데이터베이스 식별자
- CAS
103186-19-2- ChEMBL
CHEMBL70972- ChEBI
CHEBI:32126- UNII
- 4U58JM421N
- EC Number
- 692-169-8
- Nikkaji
- J1.633.058B
물성
구조 계산 물성보충 중
- XLogP
- 4.4
- 극성 표면적
- 71.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 633
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesRepr. 2 (100%)
화학 및 산업
약리 정보
ATC Code
R - Respiratory system
QR - Respiratory system
Metabolism/MetabolitesSeratrodast has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoyl]oxyoxane-2-carboxylic acid.
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.
Compounds that inhibit the action of prostaglandins.
Drugs that are used to treat asthma.
응용 분야
용도Anti-asthmatic (thromboxane receptor antagonist); anti-inflammatory (nonantihistaminic).
관련 반응
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