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Home > Other Heterocycles > 21102-95-4
21102-95-4 | 8-Azaspiro[4.5]decane-7,9-dione, 8-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-, hydrochloride (1:2)
CAS No: 21102-95-4 Catalog No: AG002L56 MDL No:MFCD00153771
Product Description
Catalog Number:
AG002L56
Chemical Name:
8-Azaspiro[4.5]decane-7,9-dione, 8-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-, hydrochloride (1:2)
CAS Number:
21102-95-4
Molecular Formula:
C22H33Cl2N3O3
Molecular Weight:
458.4217
MDL Number:
MFCD00153771
IUPAC Name:
8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride
InChI:
InChI=1S/C22H31N3O3.2ClH/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22;;/h2-3,6-7H,4-5,8-17H2,1H3;2*1H
InChI Key:
NIBOMXUDFLRHRV-UHFFFAOYSA-N
SMILES:
COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2.Cl.Cl
UNII:
KC07KV8T5O
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
457.19g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
458.424g/mol
Monoisotopic Mass:
457.19g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
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