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113777-33-6 | 8-Azaspiro[4.5]decane-7,9-dione, 8-[4-[[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]butyl]-
CAS No: 113777-33-6 Catalog No: AG0009NF MDL No:
Product Description
Catalog Number:
AG0009NF
Chemical Name:
8-Azaspiro[4.5]decane-7,9-dione, 8-[4-[[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]butyl]-
CAS Number:
113777-33-6
Molecular Formula:
C22H30N2O4
Molecular Weight:
386.4846
IUPAC Name:
8-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
InChI:
InChI=1S/C22H30N2O4.ClH/c25-20-13-22(9-3-4-10-22)14-21(26)24(20)12-6-5-11-23-15-17-16-27-18-7-1-2-8-19(18)28-17;/h1-2,7-8,17,23H,3-6,9-16H2;1H
InChI Key:
GQGDGISNRPBRSG-UHFFFAOYSA-N
SMILES:
O=C1CC2(CCCC2)CC(=O)N1CCCCNCC1COc2c(O1)cccc2
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.197g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
422.95g/mol
Monoisotopic Mass:
422.197g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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