基本情報
- CAS
103186-19-2- 標準SMILES
CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccccc2)=C(C)C1=O- InChIKey
ZBVKEHDGYSLCCC-UHFFFAOYSA-N- 分子式
- C22H26O4
- 平均分子量
- 354.4 g/mol
概要
Seratrodast is an organic molecular entity.
名称と識別子
- 優先名称
- Seratrodast
- IUPAC
- 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid
- 英語名
- BRONICA
- 分子式
- C22H26O4
- 分子量
- 354.43944
名称と別名
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)-, (+-)-
名称をさらに表示
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
データベース識別子
- CAS
103186-19-2- ChEMBL
CHEMBL70972- ChEBI
CHEBI:32126- UNII
- 4U58JM421N
- EC Number
- 692-169-8
- Nikkaji
- J1.633.058B
物性
構造計算による物性
- XLogP
- 4.4
- 極性表面積
- 71.4 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 8
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 633
安全と法規制
GHS分類
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.
危険有害性情報
Hazard Classes and CategoriesRepr. 2 (100%)
化学と産業
薬理情報
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.
応用分野
使用Anti-asthmatic (thromboxane receptor antagonist); anti-inflammatory (nonantihistaminic).
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