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MCOPPB trihydrochloride 2mg

CAT: 0628-A10561-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0628-A10561-2Size:2 mg
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CAS Number
1108147-88-1

Chemical Information

MCOPPB (triHydrochloride)
CAS Number1108147-88-1
PubChem CID25208093
IUPAC Name1-[1-(1-methylcyclooctyl)piperidin-4-yl]-2-[(3R)-piperidin-3-yl]benzimidazole;trihydrochloride
Molecular FormulaC26H43Cl3N4
Molecular Weight518.0
Topological Polar Surface Area33.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity535
SMILES
CC1(CCCCCCC1)N2CCC(CC2)N3C4=CC=CC=C4N=C3[C@@H]5CCCNC5.Cl.Cl.Cl
InChI
InChI=1S/C26H40N4.3ClH/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21;;;/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3;3*1H/t21-;;;/m1.../s1
InChIKey
DTIPEVOPCGEULQ-RFCADEKQSA-N
Chemical Structure
2D Structure
2D structure of MCOPPB (triHydrochloride)
CAS: 1108147-88-1
CID: 25208093
Formula: C26H43Cl3N4
MW: 518.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass516.255330
Monoisotopic Mass516.255330
Topological Polar Surface Area33.1 Ų
Heavy Atom Count33
Formal Charge0
Complexity535
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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