Seratrodast

HCID 178784732CAS 103186-19-2

부분 구조 검색 유사 구조 찾기

기본 정보

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 물성

XLogP: 4.4
극성 표면적: 71.4 Å²
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

GHS 분류

GHS Classification · 4건

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 · 2건

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 · 3건

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).

연결된 노트

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