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Home > Other Heterocycles > 21090-11-9
21090-11-9 | 8-Azaspiro[4.5]decane-7,9-dione, 8-[4-(4-phenyl-1-piperazinyl)butyl]-, hydrochloride (1:2)
CAS No: 21090-11-9 Catalog No: AG002L28 MDL No:
Product Description
Catalog Number:
AG002L28
Chemical Name:
8-Azaspiro[4.5]decane-7,9-dione, 8-[4-(4-phenyl-1-piperazinyl)butyl]-, hydrochloride (1:2)
CAS Number:
21090-11-9
Molecular Formula:
C23H35Cl2N3O2
Molecular Weight:
456.4489
IUPAC Name:
8-[4-(4-phenylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride
InChI:
InChI=1S/C23H33N3O2.2ClH/c27-21-18-23(10-4-5-11-23)19-22(28)26(21)13-7-6-12-24-14-16-25(17-15-24)20-8-2-1-3-9-20;;/h1-3,8-9H,4-7,10-19H2;2*1H
InChI Key:
HTEWOKPANVIFHZ-UHFFFAOYSA-N
SMILES:
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ccccc1.Cl.Cl
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.211g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
456.452g/mol
Monoisotopic Mass:
455.211g/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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