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Dibenzosuberol

CAT: 0804-HY-W043676-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W043676-02Size:5 g
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Description
Dibenzosuberol (Compound 2) is a key intermediate in the synthesis of compounds associated with inhibiting Trypanosoma thiol reductase (TryR). Dibenzosuberol also shows inhibition of T. brucei with an EC50 value of 51.3 μM. Dibenzosuberol is also an impurity of Amitriptyline.
CAS Number
1210-34-0
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Drug Intermediate; Parasite
Related Pathways
Anti-infection; Others
Field of Research
Infection
Purity
99.84
Smiles
OC1C2=CC=CC=C2CCC3=CC=CC=C31
Molecular Formula
C15H14O
Molecular Weight
210.27
Precautions
H302, H315, H319, H335
References & Citations
[1]Richardson JL, et al. Improved tricyclic inhibitors of trypanothione reductase by screening and chemical synthesis. ChemMedChem. 2009 Aug;4 (8) :1333-40.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Dibenzosuberol
CAS Number1210-34-0
PubChem CID14588
IUPAC Nametricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
Molecular FormulaC15H14O
Molecular Weight210.27
XLogP3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity214
SMILES
C1CC2=CC=CC=C2C(C3=CC=CC=C31)O
InChI
InChI=1S/C15H14O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2
InChIKey
POAVRNPUPPJLKZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dibenzosuberol
CAS: 1210-34-0
CID: 14588
Formula: C15H14O
MW: 210.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.27
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass210.104465066
Monoisotopic Mass210.104465066
Topological Polar Surface Area20.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity214
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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CatalogName
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