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ABT-418 hydrochloride

CAT: 0931-T10224-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T10224-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
147388-83-8
Target
Others, AChR
Related Pathways
Others, Neuroscience
Bioactivity
ABT-418 hydrochloride is a selective agonist of nAChRs with cognitive enhancing and anxiolytic activities. It activates cholinergic channel and can be used for the research of Alzheimer's disease.
Smiles
Cl.CN1CCC[C@H]1c1cc(C)no1
Molecular Formula
C9H15ClN2O
Molecular Weight
202.68
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

ABT-418 hydrochloride
CAS Number147388-83-8
PubChem CID10375597
IUPAC Name3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole;hydrochloride
Molecular FormulaC9H15ClN2O
Molecular Weight202.68
Topological Polar Surface Area29.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity163
SMILES
CC1=NOC(=C1)[C@@H]2CCCN2C.Cl
InChI
InChI=1S/C9H14N2O.ClH/c1-7-6-9(12-10-7)8-4-3-5-11(8)2;/h6,8H,3-5H2,1-2H3;1H/t8-;/m0./s1
InChIKey
VOXHERKWAIEJQF-QRPNPIFTSA-N
Chemical Structure
2D Structure
2D structure of ABT-418 hydrochloride
CAS: 147388-83-8
CID: 10375597
Formula: C9H15ClN2O
MW: 202.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.68
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass202.0872908
Monoisotopic Mass202.0872908
Topological Polar Surface Area29.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity163
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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