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Trazodone N-Oxide

CAT: 0024-sc-213098Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-213098Size:5 mg
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CAS Number
55290-68-1

Chemical Information

Trazodone N-oxide
CAS Number55290-68-1
PubChem CID46783124
IUPAC Name2-[3-[4-(3-chlorophenyl)-1-oxidopiperazin-1-ium-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
Molecular FormulaC19H22ClN5O2
Molecular Weight387.9
XLogP2.3
Topological Polar Surface Area57.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity656
SMILES
C1C[N+](CCN1C2=CC(=CC=C2)Cl)(CCCN3C(=O)N4C=CC=CC4=N3)[O-]
InChI
InChI=1S/C19H22ClN5O2/c20-16-5-3-6-17(15-16)22-10-13-25(27,14-11-22)12-4-9-24-19(26)23-8-2-1-7-18(23)21-24/h1-3,5-8,15H,4,9-14H2
InChIKey
WPWLJYFNNKOAFU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trazodone N-oxide
CAS: 55290-68-1
CID: 46783124
Formula: C19H22ClN5O2
MW: 387.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.9
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass387.1462027
Monoisotopic Mass387.1462027
Topological Polar Surface Area57.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity656
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

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Alternative Products

CatalogName
022065Trazodone N-Oxide
CS-O-41569Trazodone N-Oxide 2
AR-T05771-01Trazodone N4-Oxide
RM-T260401-01Trazodone Hydrochloride Impurity A; Trazodone N1-Oxide
CS-T-86786Trazodone 1,4-Di-N-Oxide
AR-T05765-01Trazodone N, N-Dioxide
CS-EO-01258N-Nitroso Trazodone Impurity
CS-O-50393N-Nitroso Deschlorophenyl Trazodone
CS-O-60104N-Nitroso Trazodone Impurity 5
AR-T05776-01N-Nitroso Trazodone Impurity 41

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