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SSR180711 hydrochloride

CAT: 0931-T28856-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T28856-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
446031-79-4
Target
AChR
Related Pathways
Neuroscience
Purity
0.9977
Bioactivity
SSR180711 hydrochloride (SSR-180711A HCl) is a selective Alpha7 nicotinic acetylcholine partial agonist for the study of neurodegenerative and cognitive disorders.
Smiles
Cl.Brc1ccc(OC(=O)N2CCN3CCC2CC3)cc1
Molecular Formula
C14H18BrClN2O2
Molecular Weight
361.66
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

SSR 180711 hydrochloride
CAS Number446031-79-4
PubChem CID9928899
IUPAC Name(4-bromophenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate;hydrochloride
Molecular FormulaC14H18BrClN2O2
Molecular Weight361.66
Topological Polar Surface Area32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity323
SMILES
C1CN2CCC1N(CC2)C(=O)OC3=CC=C(C=C3)Br.Cl
InChI
InChI=1S/C14H17BrN2O2.ClH/c15-11-1-3-13(4-2-11)19-14(18)17-10-9-16-7-5-12(17)6-8-16;/h1-4,12H,5-10H2;1H
InChIKey
YNBXNVUZXFMNSJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SSR 180711 hydrochloride
CAS: 446031-79-4
CID: 9928899
Formula: C14H18BrClN2O2
MW: 361.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.66
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass360.02402
Monoisotopic Mass360.02402
Topological Polar Surface Area32.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity323
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

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