125481-61-0

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125481-61-0 Structure

Identification	Back Directory
[Name] 6-HYDROXY BUSPIRONE
[CAS] 125481-61-0
[Synonyms] BMY 28674 BMS 528215 6-HYDROXY BUSPIRONE Buspirone 6-Hydroxy Metabolite 6-Hydroxy-8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-8-azaspiro[4.5]decane-7,9-dione
[Molecular Formula] C21H31N5O3
[MDL Number] MFCD08063642
[MOL File] 125481-61-0.mol
[Molecular Weight] 401.5

Chemical Properties	Back Directory
[Appearance] Off-White to Pale Yellow Solid
[Melting point ] 96-99°C
[storage temp. ] -20°C Freezer
[solubility ] Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
[form ] Solid
[color ] White to Off-White
[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
[InChIKey] KOZNAHJIJGCFJJ-UHFFFAOYSA-N
[SMILES] O=C1C(O)C2(CCCC2)CC(N1CCCCN(CC3)CCN3C4=NC=CC=N4)=O

Hazard Information	Back Directory
[Chemical Properties] Off-White to Pale Yellow Solid
[Uses] It is a major active metabolite of Buspirone (B689850).
[Definition] ChEBI: 6-hydroxy buspirone is a N-arylpiperazine.
[IC 50] Rat 5-HT_1A Receptor: 4 μM (EC₅₀); D₂ Receptor: 3.1 μM (IC₅₀); D₃ Receptor: 4.9 μM (IC₅₀); D₄ Receptor: 0.85 μM (IC₅₀); Rat 5-HT_1A Receptor: 1 μM (EC₅₀)

Safety Data	Back Directory
[WGK Germany ] WGK 2
[Storage Class] 3 - Flammable liquids
[Hazard Classifications] Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Flam. Liq. 2

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