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YM-58790 hydrochloride

CAT: 0931-T13372-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T13372-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
214558-72-2
Target
Others, AChR
Related Pathways
Neuroscience, Others
Bioactivity
YM-58790 is a potent M3 muscarinic receptor antagonist (Ki of 15 nM) .
Smiles
Cl.CNc1ccc(CN2CCC(CC2)OC(=O)NC(c2ccccc2)c2ccccc2)cc1
Molecular Formula
C27H32ClN3O2
Molecular Weight
466.02
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[1-[[4-(methylamino)phenyl]methyl]piperidin-4-yl] N-benzhydrylcarbamate;hydrochloride
CAS Number214558-72-2
PubChem CID129010504
IUPAC Name[1-[[4-(methylamino)phenyl]methyl]piperidin-4-yl] N-benzhydrylcarbamate;hydrochloride
Molecular FormulaC27H32ClN3O2
Molecular Weight466.0
Topological Polar Surface Area53.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity525
SMILES
CNC1=CC=C(C=C1)CN2CCC(CC2)OC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4.Cl
InChI
InChI=1S/C27H31N3O2.ClH/c1-28-24-14-12-21(13-15-24)20-30-18-16-25(17-19-30)32-27(31)29-26(22-8-4-2-5-9-22)23-10-6-3-7-11-23;/h2-15,25-26,28H,16-20H2,1H3,(H,29,31);1H
InChIKey
WKHYQXVQUGLLOZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [1-[[4-(methylamino)phenyl]methyl]piperidin-4-yl] N-benzhydrylcarbamate;hydrochloride
CAS: 214558-72-2
CID: 129010504
Formula: C27H32ClN3O2
MW: 466.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass465.2183050
Monoisotopic Mass465.2183050
Topological Polar Surface Area53.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity525
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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