ChemicalBook--->CAS DataBase List--->125481-61-0

125481-61-0

125481-61-0 Structure

125481-61-0 Structure
IdentificationBack 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 PropertiesBack 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 InformationBack 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-HT1A Receptor: 4 μM (EC50); D2 Receptor: 3.1 μM (IC50); D3 Receptor: 4.9 μM (IC50); D4 Receptor: 0.85 μM (IC50); Rat 5-HT1A Receptor: 1 μM (EC50)
Safety DataBack 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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