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6-Hydroxy Buspirone-d8

CAT: 0572-TRC-H830802-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H830802-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189644-16-3
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]C([2H])(N1CCN(CC1)c2ncccn2)C([2H])([2H])C([2H])([2H])C([2H])([2H])N3C(=O)CC4(CCCC4)C(O)C3=O
Molecular Formula
C21H23D8N5O3
Molecular Weight
409.55
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

6-Hydroxy Buspirone-d8
CAS Number1189644-16-3
PubChem CID46781736
IUPAC Name10-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
Molecular FormulaC21H31N5O3
Molecular Weight409.6
XLogP1.2
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity581
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
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
InChIKey
KOZNAHJIJGCFJJ-QGZHXTQCSA-N
Chemical Structure
2D Structure
2D structure of 6-Hydroxy Buspirone-d8
CAS: 1189644-16-3
CID: 46781736
Formula: C21H31N5O3
MW: 409.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.6
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass409.29290384
Monoisotopic Mass409.29290384
Topological Polar Surface Area89.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity581
Isotope Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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TRC-B689852-1MGBuspirone-d8 Dihydrochloride
TRC-B689851-0.5MGBuspirone-d8 HCl (n-butyl-d8)

Alternative Products

CatalogName
0135276-Hydroxy Buspirone-d8
CS-T-558556-Hydroxy Buspirone D8
AR-B08037-01Buspirone Impurity 1-d8 (Lactone of 6-Hydroxy Buspirone-d8)
HY-132490S-015-Hydroxy Buspirone-d8
279031-016'-Hydroxy buspirone
0135266’-Hydroxy Buspirone
sc-210515-CW6-Hydroxy buspirone
MBS6029528-016,10-Dihydroxy Buspirone-d8
RM-B161813-01Buspirone 6-Hydroxy Metabolite
AR-B02303-01Buspirone Impurity 1 (Lactone of 6-Hydroxy Buspirone)

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