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1108147-88-1 | MCOPPB (triHydrochloride)
CAS No: 1108147-88-1 Catalog No: AG008W62 MDL No:
Product Description
Catalog Number:
AG008W62
Chemical Name:
MCOPPB (triHydrochloride)
CAS Number:
1108147-88-1
Molecular Formula:
C26H43Cl3N4
Molecular Weight:
518.0054
IUPAC Name:
1-[1-(1-methylcyclooctyl)piperidin-4-yl]-2-[(3R)-piperidin-3-yl]benzimidazole;trihydrochloride
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
InChI Key:
DTIPEVOPCGEULQ-RFCADEKQSA-N
SMILES:
CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2c1cccc2)[C@@H]1CCCNC1.Cl.Cl.Cl
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
516.255g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
518.008g/mol
Monoisotopic Mass:
516.255g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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