Seratrodast

HCID 178784732
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Grundinformationen

CAS
103186-19-2
Standard-SMILES
CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccccc2)=C(C)C1=O
InChIKey
ZBVKEHDGYSLCCC-UHFFFAOYSA-N
Summenformel
C22H26O4
Durchschnittliche Molmasse
354,4 g/mol

Überblick

Seratrodast is an organic molecular entity.

Namen und Bezeichner

Bevorzugter Name
Seratrodast
IUPAC
7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid
Englischer Name
BRONICA
Summenformel
C22H26O4
Molmasse
354.43944

Namen und Synonyme

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)-, (+-)-
Weitere Namen anzeigen
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

Datenbank-Bezeichner

CAS
103186-19-2
ChEMBL
CHEMBL70972
ChEBI
CHEBI:32126
UNII
4U58JM421N
EC Number
692-169-8
Nikkaji
J1.633.058B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,4
Polarare Oberfläche (TPSA)
71,4 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
8
Schwere Atome
26

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesRepr. 2 (100%)

Chemie und Industrie

Pharmakologische Informationen

ATC Code · 2 Einträge

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 · 3 Einträge

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.

Anwendungen

VerwendenAnti-asthmatic (thromboxane receptor antagonist); anti-inflammatory (nonantihistaminic).

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