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Bemesetron

CAT: 1410-M26626-01Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M26626-01Size:1 Each
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Description
Bemesetron is a selective antagonist of 5-HT3 (IC50 = 0.33 nM) with neuroprotective effects.
CAS Number
40796-97-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
314.21
Molecular Formula
C15H17Cl2NO2
Notes
Research use only, not for human use.
Receptor
NLRP3

Chemical Information

Bemesetron (USAN/INN)

See also: Bemesetron (annotation moved to).

CAS Number40796-97-2
PubChem CID671690
IUPAC Name[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-dichlorobenzoate
Molecular FormulaC15H17Cl2NO2
Molecular Weight314.2
XLogP4.2
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity355
SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C15H17Cl2NO2/c1-18-12-2-3-13(18)8-14(7-12)20-15(19)9-4-10(16)6-11(17)5-9/h4-6,12-14H,2-3,7-8H2,1H3/t12-,13+,14?
InChIKey
MNJNPLVXBISNSX-PBWFPOADSA-N
Chemical Structure
2D Structure
2D structure of Bemesetron (USAN/INN)
CAS: 40796-97-2
CID: 671690
Formula: C15H17Cl2NO2
MW: 314.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.2
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass313.0636342
Monoisotopic Mass313.0636342
Topological Polar Surface Area29.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity355
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BUP11541-01Bemesetron

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