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Home > Other Heterocycles > 101304-01-2
101304-01-2 | Benzamide, N-1-azabicyclo[2.2.2]oct-3-yl-2,4-dimethoxy-, sulfate (1:1)
CAS No: 101304-01-2 Catalog No: AG00047G MDL No:
Product Description
Catalog Number:
AG00047G
Chemical Name:
Benzamide, N-1-azabicyclo[2.2.2]oct-3-yl-2,4-dimethoxy-, sulfate (1:1)
CAS Number:
101304-01-2
Molecular Formula:
C16H24N2O7S
Molecular Weight:
388.4360
IUPAC Name:
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dimethoxybenzamide;sulfuric acid
InChI:
InChI=1S/C16H22N2O3.H2O4S/c1-20-12-3-4-13(15(9-12)21-2)16(19)17-14-10-18-7-5-11(14)6-8-18;1-5(2,3)4/h3-4,9,11,14H,5-8,10H2,1-2H3,(H,17,19);(H2,1,2,3,4)
InChI Key:
QDDJQUHKPDIAPY-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.COc1cc(OC)ccc1C(=O)NC1CN2CCC1CC2
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.13g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
388.435g/mol
Monoisotopic Mass:
388.13g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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