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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...
View on PubChemRaw 3D data
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

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