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Becantal

CAT: 0013-GTR19195448-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195448-01Size:25 mg
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Description
Becantal is a bioactive small molecule compound utilized in biochemical research. It is employed in both in vitro and in vivo studies to investigate cellular signaling pathways and evaluate potential therapeutic effects in relevant disease models.
CAS Number
1301-14-0
Smiles
[O-]S (C1=C (C (C) (C) C) C=CC2=CC (C (C) (C) C) =CC=C21) (=O) =O.[Na+]
Molecular Formula
C18H24O3S.Na
Molecular Weight
342.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Becantal
CAS Number1301-14-0
PubChem CID23691988
IUPAC Namesodium 2,7-ditert-butylnaphthalene-1-sulfonate
Molecular FormulaC18H23NaO3S
Molecular Weight342.4
Topological Polar Surface Area65.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity496
SMILES
CC(C)(C)C1=CC2=C(C=C1)C=CC(=C2S(=O)(=O)[O-])C(C)(C)C.[Na+]
InChI
InChI=1S/C18H24O3S.Na/c1-17(2,3)13-9-7-12-8-10-15(18(4,5)6)16(14(12)11-13)22(19,20)21;/h7-11H,1-6H3,(H,19,20,21);/q;+1/p-1
InChIKey
QORXBAUTUJKXSW-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Becantal
CAS: 1301-14-0
CID: 23691988
Formula: C18H23NaO3S
MW: 342.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass342.12656005
Monoisotopic Mass342.12656005
Topological Polar Surface Area65.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity496
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T30309-01Becantal

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