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Nefazodone

CAT: 0013-GTR19201710-03Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19201710-03Size:1 ml x 10 mM (in DMSO)
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Description
Nefazodone
CAS Number
83366-66-9
Product Name Alternative
Dutonin, Nefadar, Nefazodone, Serzone
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Purity
99.85% (May vary between batches)
Solubility
H2O:< 1 mg/mL (insoluble) ; DMSO:80 mg/mL (170.21 mM)
Smiles
O=C1N (N=C (N1CCOC=2C=CC=CC2) CC) CCCN3CCN (C=4C=CC=C (Cl) C4) CC3
Molecular Formula
C25H32ClN5O2
Molecular Weight
470.01
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nefazodone

Nefazodone is an aromatic ether, a member of triazoles, a N-alkylpiperazine, a N-arylpiperazine and a member of monochlorobenzenes. It has a role as an antidepressant, an analgesic, an alpha-adrenergic antagonist, a serotonergic antagonist and a serotonin uptake inhibitor.

CAS Number83366-66-9
PubChem CID4449
IUPAC Name2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one
Molecular FormulaC25H32ClN5O2
Molecular Weight470.0
XLogP4.3
Topological Polar Surface Area51.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity649
SMILES
CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
InChIKey
VRBKIVRKKCLPHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nefazodone
CAS: 83366-66-9
CID: 4449
Formula: C25H32ClN5O2
MW: 470.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.0
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass469.2244530
Monoisotopic Mass469.2244530
Topological Polar Surface Area51.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity649
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BUP20883-01Nefazodone
B7183-10Nefazodone hydrochloride
540313Nefazodone HCl
MBS6119298-01Methoxymethoxy Nefazodone
HY-119209R-01Nefazodone (Standard)

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