3-Methylanthralin

HCID 10288CAS 491-59-8
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Grundinformationen

Standard-SMILES
Cc1cc(O)c2c(O)c3c(O)cccc3cc2c1
InChIKey
JBGKVNQFVAJOGC-UHFFFAOYSA-N
Summenformel
C15H12O3
Durchschnittliche Molmasse
240,25 g/mol
Monoisotopische Masse
240,07864424

Überblick

chrysarobin has been reported in Senna obtusifolia, Senna garrettiana, and other organisms with data available.

Namen und Bezeichner

Bevorzugter Name
3-Methylanthralin
IUPAC
3-methylanthracene-1,8,9-triol
Englischer Name
CHRYSAROBIN
Summenformel
C15H12O3
Molmasse
240.25

Namen und Synonyme

3-Methyl-1,8,9-anthracenetriol491-59-83-MethylanthralinPurified ararobaChrysophanic acid anthranol1,8,9-Trihydroxy-3-methylanthraceneDTXSID10486719-hydroxy chrysarobin0433FJV3CIDTXCID4028597RefChem:9115261,8-dihydroxy-3-methyl-9(10H)-anthracenone
Weitere Namen anzeigen
9-anthracenetriol,3-methyl-83-methyl-1,8,9-anthacenetriol
6307EF51M1ChrysarobinNSC61523-methylanthracene-1,8,9-triol1,8,9-Anthracenetriol, 3-methyl-3-Methyl-1,8,9-trihydroxyanthraceneNCGC00181774-01CAS-491-59-8

Datenbank-Bezeichner

CAS
491-59-8
PubChem CID
10288
DTXSID
DTXSID1048671
ChEMBL
CHEMBL2135835
UNII
0433FJV3CI
Nikkaji
J1.553I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,3
Polarare Oberfläche (TPSA)
60,7 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
0
Schwere Atome
18

Physikochemische Eigenschaften

Schmelzpunkt
203.7 °C · 203.7 °C
Siedepunkt
342.97 °C · 342.97°C (rough estimate)
Dichte
1.1783 · 1.1783 (rough estimate)
Brechungsindex
1.557 · 1.5570 (estimate)
pka
6.5 · 6.50±0.30(Predicted)

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 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.

Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.

Anwendungen

VerwendenChrysarobin was identified as a photolytic decomposition compound. Commonly used in food packaging and adhesives.

Anbieter9 Anbieter

Apin Chemicals Limited (UK)[email protected]
Carbone Scientific CO., LTD[email protected]
APIN-NP[email protected]
PFALTZ-BAUER[email protected]
CHROMADEX[email protected]

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