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548-04-9

548-04-9 structural image
Product Name: Hypericin
Formula: C30H16O8
Synonyms: 4,5,7,4′,5′,7′-Hexahydroxy-2,2′-dimethylnaphthodianthrone;Casein Kinase II Inhibitor XI;Cyclo werrol;Hypericin - CAS 548-04-9 - Calbiochem;Hypericum red
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 504.4 g/mol
XLogP3 5.7
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 0
Exact Mass 504.08451746 g/mol
Monoisotopic Mass 504.08451746 g/mol
Topological Polar Surface Area 156 Ų
Heavy Atom Count 38
Formal Charge 0
Complexity 1090
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Hypericin is a carbopolycyclic compound. It has a role as an antidepressant. It derives from a hydride of a bisanthene.