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6-Hydroxy Buspirone-[d8]

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General Information
Catalog: BLP-009652
CAS: 1189644-16-3
Molecular Formula: C21H23D8N5O3
Molecular Weight: 409.56

Chemical Structure

Description	6-Hydroxy Buspirone-[d8] is a major active labelled metabolite of Buspirone, a medication indicated for the treatment of anxiety disorders.
Synonyms	6-Hydroxy Buspirone-d8; 6-Hydroxy-8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl-d8]-8-azaspiro[4.5]decane-7,9-dione; 6'-Hydroxybuspirone-d8; BMY 28674-d8
IUPAC Name	10-hydroxy-8-[1,1,2,2,3,3,4,4-octadeuterio-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
Related CAS	125481-61-0 (unlabelled)
Isomeric SMILES	[2H]C([2H])(C([2H])([2H])C([2H])([2H])N1C(=O)CC2(CCCC2)C(C1=O)O)C([2H])([2H])N3CCN(CC3)C4=NC=CC=N4
Canonical SMILES	C1CCC2(C1)CC(=O)N(C(=O)C2O)CCCCN3CCN(CC3)C4=NC=CC=N4
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/i3D2,4D2,10D2,11D2
InChI Key	KOZNAHJIJGCFJJ-QGZHXTQCSA-N
Melting Point	98-102°C
Purity	95%; ≥98% atom D
Solubility	Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
Appearance	White to Off-White Solid
Storage	Store at -20°C