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Beperidium iodide

CAT: 0931-T10516-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T10516-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
86434-57-3
Target
Others, AChR
Related Pathways
Others, Neuroscience
Bioactivity
Beperidium iodide is a competitive antagonist of the acetylcholine receptor (pA2: 7.93) .
Smiles
[I-].CC[N+]1(C)CCC(CC1)OC(=O)C(N1CCCCCC1)c1noc2ccccc12
Molecular Formula
C23H34IN3O3
Molecular Weight
527.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Beperidium Iodide
CAS Number86434-57-3
PubChem CID72012
IUPAC Name(1-ethyl-1-methylpiperidin-1-ium-4-yl) 2-(azepan-1-yl)-2-(1,2-benzoxazol-3-yl)acetate iodide
Molecular FormulaC23H34IN3O3
Molecular Weight527.4
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity541
SMILES
CC[N+]1(CCC(CC1)OC(=O)C(C2=NOC3=CC=CC=C32)N4CCCCCC4)C.[I-]
InChI
InChI=1S/C23H34N3O3.HI/c1-3-26(2)16-12-18(13-17-26)28-23(27)22(25-14-8-4-5-9-15-25)21-19-10-6-7-11-20(19)29-24-21;/h6-7,10-11,18,22H,3-5,8-9,12-17H2,1-2H3;1H/q+1;/p-1
InChIKey
XEHKKWZHSSPBNZ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Beperidium Iodide
CAS: 86434-57-3
CID: 72012
Formula: C23H34IN3O3
MW: 527.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight527.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass527.16449
Monoisotopic Mass527.16449
Topological Polar Surface Area55.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity541
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes