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Home > Other Heterocycles > 125481-61-0
125481-61-0 | 8-Azaspiro[4.5]decane-7,9-dione, 6-hydroxy-8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-
CAS No: 125481-61-0 Catalog No: AG000NPO MDL No:
Product Description
Catalog Number:
AG000NPO
Chemical Name:
8-Azaspiro[4.5]decane-7,9-dione, 6-hydroxy-8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-
CAS Number:
125481-61-0
Molecular Formula:
C21H31N5O3
Molecular Weight:
401.5025
IUPAC Name:
10-hydroxy-8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
InChI:
InChI=1S/C21H31N5O3/c27-17-16-21(6-1-2-7-21)18(28)19(29)26(17)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9,18,28H,1-4,6-7,10-16H2
InChI Key:
KOZNAHJIJGCFJJ-UHFFFAOYSA-N
SMILES:
O=C1CC2(CCCC2)C(C(=O)N1CCCCN1CCN(CC1)c1ncccn1)O
UNII:
4PRI09E14U
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.243g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
401.511g/mol
Monoisotopic Mass:
401.243g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Pharmacokinetics of 6-hydroxybuspirone and its enantiomers administered individually or following buspirone administration in humans. | Biopharmaceutics & drug disposition 20071001 |
| 6-Hydroxybuspirone is a major active metabolite of buspirone: assessment of pharmacokinetics and 5-hydroxytryptamine1A receptor occupancy in rats. | Drug metabolism and disposition: the biological fate of chemicals 20070801 |
| Pharmacokinetics of a newly identified active metabolite of buspirone after administration of buspirone over its therapeutic dose range. | Journal of clinical pharmacology 20061101 |
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