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Home > Other Heterocycles > 21102-97-6
21102-97-6 | 8-Azaspiro[4.5]decane-7,9-dione, 8-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-, hydrochloride (1:2)
CAS No: 21102-97-6 Catalog No: AG002L55 MDL No:
Product Description
Catalog Number:
AG002L55
Chemical Name:
8-Azaspiro[4.5]decane-7,9-dione, 8-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-, hydrochloride (1:2)
CAS Number:
21102-97-6
Molecular Formula:
C23H35Cl2N3O3
Molecular Weight:
472.4483
IUPAC Name:
8-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride
InChI:
InChI=1S/C23H33N3O3.2ClH/c1-29-20-8-3-2-7-19(20)25-15-13-24(14-16-25)11-6-12-26-21(27)17-23(18-22(26)28)9-4-5-10-23;;/h2-3,7-8H,4-6,9-18H2,1H3;2*1H
InChI Key:
JUNHDFSHVIYXLO-UHFFFAOYSA-N
SMILES:
COc1ccccc1N1CCN(CC1)CCCN1C(=O)CC2(CC1=O)CCCC2.Cl.Cl
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
471.206g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
472.451g/mol
Monoisotopic Mass:
471.206g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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