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Tolboxane

CAT: 0931-T24892-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T24892-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2430-46-8
Target
Others
Related Pathways
Others
Bioactivity
Tolboxane is an alpha-adrenergic blocking drug.
Smiles
C(CC)C1(C)COB(OC1)C2=CC=C(C)C=C2
Molecular Formula
C14H21BO2
Molecular Weight
232.13
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tolboxane

Tolboxane is a small molecule drug. The usage of the INN stem '-oxan(e)' in the name indicates that Tolboxane is a benzodioxane derivative. Tolboxane has a monoisotopic molecular weight of 232.16 Da.

CAS Number2430-46-8
PubChem CID72134
IUPAC Name5-methyl-2-(4-methylphenyl)-5-propyl-1,3,2-dioxaborinane
Molecular FormulaC14H21BO2
Molecular Weight232.13
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity228
SMILES
B1(OCC(CO1)(C)CCC)C2=CC=C(C=C2)C
InChI
InChI=1S/C14H21BO2/c1-4-9-14(3)10-16-15(17-11-14)13-7-5-12(2)6-8-13/h5-8H,4,9-11H2,1-3H3
InChIKey
WOZGAFMPOSBQCU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tolboxane
CAS: 2430-46-8
CID: 72134
Formula: C14H21BO2
MW: 232.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight232.13
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass232.1634601
Monoisotopic Mass232.1634601
Topological Polar Surface Area18.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity228
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

Alternative Products

CatalogName
MBS5774632Tolboxane

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