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Home > Other Heterocycles > 76352-12-0
76352-12-0 | Benzamide,2,3,4-trimethoxy-N-[8-(phenylmethyl)-8-azabicyclo[3.2.1]oct-3-yl]-,monohydrochloride, exo- (9CI)
CAS No: 76352-12-0 Catalog No: AG005QCW MDL No:
Product Description
Catalog Number:
AG005QCW
Chemical Name:
Benzamide,2,3,4-trimethoxy-N-[8-(phenylmethyl)-8-azabicyclo[3.2.1]oct-3-yl]-,monohydrochloride, exo- (9CI)
CAS Number:
76352-12-0
Molecular Formula:
C24H31ClN2O4
Molecular Weight:
446.9669
IUPAC Name:
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trimethoxybenzamide;hydrochloride
InChI:
InChI=1S/C24H30N2O4.ClH/c1-28-21-12-11-20(22(29-2)23(21)30-3)24(27)25-17-13-18-9-10-19(14-17)26(18)15-16-7-5-4-6-8-16;/h4-8,11-12,17-19H,9-10,13-15H2,1-3H3,(H,25,27);1H
InChI Key:
MWXKECQZBUPHIO-UHFFFAOYSA-N
SMILES:
COc1c(ccc(c1OC)OC)C(=O)NC1CC2CCC(C1)N2Cc1ccccc1.Cl
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.197g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
446.972g/mol
Monoisotopic Mass:
446.197g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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