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Anthrarobin

CAT: 0804-HY-114812-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-114812-02Size:10 mg
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Description
Anthrarobin is an antipsoriatic agent with antibacterial and oxidative potential.
CAS Number
577-33-3
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/anthrarobin.html
Solubility
10 mM in DMSO
Smiles
OC1=C2C=C3C=CC=CC3=C(O)C2=CC=C1O
Molecular Formula
C14H10O3
Molecular Weight
226.23
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Anthrarobin

Anthrarobin is an anthracenetriol having the three hydroxy substituents at the 1-, 2- and 10-positions. It has a role as an allergen.

CAS Number577-33-3
PubChem CID11342
IUPAC Nameanthracene-1,2,10-triol
Molecular FormulaC14H10O3
Molecular Weight226.23
XLogP3.4
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity281
SMILES
C1=CC=C2C(=C1)C=C3C(=C2O)C=CC(=C3O)O
InChI
InChI=1S/C14H10O3/c15-12-6-5-10-11(14(12)17)7-8-3-1-2-4-9(8)13(10)16/h1-7,15-17H
InChIKey
TZIQWQARHPGHIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anthrarobin
CAS: 577-33-3
CID: 11342
Formula: C14H10O3
MW: 226.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.23
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass226.062994177
Monoisotopic Mass226.062994177
Topological Polar Surface Area60.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity281
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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