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Buspirone-d8 Hydrochloride

CAT: 1596-AR-B02283-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-B02283-01Size:10 Units
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CAS Number
1216761-39-5
Synonyms
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; 8-[4-[4- (2-Pyrimidinyl) -1-piperazinyl]butyl-d8]-8-azaspiro[4.5]decane-7,9-dione Dihydrochloride; Ansial-d8 Dihydrochloride; Ansiced-d8 Dihydrochloride; Axoren-d8 Dihydrochloride; Bespar-d8 Dihydrochloride; Buspar-d8 Dihydrochloride; Narol-d8 Dihydrochloride
Molecular Formula
C21H23N5O3D8
Molecular Weight
393.56
API Name
Buspirone

Chemical Information

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;hydrochloride
CAS Number1216761-39-5
PubChem CID45038478
IUPAC Name8-[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;hydrochloride
Molecular FormulaC21H32ClN5O2
Molecular Weight430.0
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity529
SMILES
[2H]C([2H])(C([2H])([2H])C([2H])([2H])N1C(=O)CC2(CCCC2)CC1=O)C([2H])([2H])N3CCN(CC3)C4=NC=CC=N4.Cl
InChI
InChI=1S/C21H31N5O2.ClH/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20;/h5,8-9H,1-4,6-7,10-17H2;1H/i3D2,4D2,10D2,11D2;
InChIKey
RICLFGYGYQXUFH-WPEKBPPBSA-N
Chemical Structure
2D Structure
2D structure of 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;hydrochloride
CAS: 1216761-39-5
CID: 45038478
Formula: C21H32ClN5O2
MW: 430.0
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass429.2746669
Monoisotopic Mass429.2746669
Topological Polar Surface Area69.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity529
Isotope Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
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AR-B02300-01Buspirone EP Impurity A-d8
AR-B08020-015-Hydroxy Buspirone-d8
AR-B08034-01Buspirone EP Impurity E-d8
AR-L06049-01Lurasidone-d8 Hydrochloride
AR-B02288Buspirone HCl
AR-B02303-01Buspirone Impurity 1 (Lactone of 6-Hydroxy Buspirone)
AR-B02286-01Buspirone N-Oxide
AR-B02284-01Buspirone EP Impurity A

Alternative Products

CatalogName
HY-B1115SBuspirone-d8 (hydrochloride)
sc-217803Buspirone-d8 Hydrochloride
HY-B1115S1Buspirone-d8 (di (hydrochloride) )
CS-O-02711Buspirone-d8 Hydrochloride (N-butyl-d8)
FP19364-01Buspirone hydrochloride
HY-B1115-01Buspirone (hydrochloride)
HY-B1115R-01Buspirone (hydrochloride) (Standard)
005076Buspirone Hydrochloride discontinued. See 263335
CS-C-01034Prochlorperazine-d8 Hydrochloride (piperazine-d8)
B8996Buspirone-d8 Hydrochloride (8-[4-[4- (2-Pyrimidinyl) -1-piperazinyl]butyl-d8]-8-azaspiro[4.5]decane-7,9-dione, Ansial-d8, Ansiced-d8, Axoren-d8, Bespar-d8, Buspar-d8, Narol-d8)

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