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21098-20-4 | 8-Azaspiro[4.5]decane-7,9-dione, 8-[4-[4-(2-fluorophenyl)-1-piperazinyl]butyl]-, hydrochloride (1:1)
CAS No: 21098-20-4 Catalog No: AG002L3L MDL No:
Product Description
Catalog Number:
AG002L3L
Chemical Name:
8-Azaspiro[4.5]decane-7,9-dione, 8-[4-[4-(2-fluorophenyl)-1-piperazinyl]butyl]-, hydrochloride (1:1)
CAS Number:
21098-20-4
Molecular Formula:
C23H33ClFN3O2
Molecular Weight:
437.9784
IUPAC Name:
8-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
InChI:
InChI=1S/C23H32FN3O2.ClH/c24-19-7-1-2-8-20(19)26-15-13-25(14-16-26)11-5-6-12-27-21(28)17-23(18-22(27)29)9-3-4-10-23;/h1-2,7-8H,3-6,9-18H2;1H
InChI Key:
KPBBFYPQBXVXKW-UHFFFAOYSA-N
SMILES:
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ccccc1F.Cl
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.225g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
437.984g/mol
Monoisotopic Mass:
437.225g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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