Name: Name:8-Azaspiro[4.5]decane-7,9-dione, 6-hydroxy-8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-
Brand: Angene
SKU: AG000NPO
Rating: 90 (10 reviews)

8-Azaspiro[4.5]decane-7,9-dione, 6-hydroxy-8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-

CAS No.:

125481-61-0

Catalog Number:

AG000NPO

Molecular Formula:

C21H31N5O3

Molecular Weight:

401.5025

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Purity

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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

MDL Number:

MFCD08063642

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

401.243g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

401.511g/mol

Monoisotopic Mass:

401.243g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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

Properties