Products for Research Use Only
RegisterLogin

Cyclobenzaprine N-oxide

CAT: 0804-HY-133797-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-133797-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Cyclobenzaprine N-oxide is the tertiary amine metabolite of Cyclobenzaprine in liver particles. Cyclobenzaprine is a skeletal muscle relaxant and is active on the central nervous system. The liver cytosol from liver particles has reductase activity that can reduce Cyclobenzaprine N-oxide to the corresponding amine[1][2][3].
CAS Number
6682-26-4
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Drug Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/cyclobenzaprine-n-oxide.html
Solubility
10 mM in DMSO
Smiles
C[N+](C)([O-])CC/C=C1C2=CC=CC=C2C=CC3=CC=CC=C\13
Molecular Formula
C20H21NO
Molecular Weight
291.39
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Kitamura S, et al. Reduction of tertiary amine N-oxides by liver preparations: function of aldehyde oxidase as a major N-oxide reductase. Biochem Biophys Res Commun. 1984 Jun 29;121 (3) :749-54.|[2]Kobayashi, et al. Ono, Cyclobenzaprine, a centrally acting muscle relaxant, acts on descending serotonergic systems. Eur J Pharmacol, 1996. 311 (1) : p. 29-35.|[3]Belvedere G, et al. Identification of cyclobenzaprine-10, 11-epoxide and other metabolites after incubation of cyclobenzaprine with rat liver microsomes[J]. Xenobiotica, 1975, 5 (12) : 765-771.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-delta 5,alpha-propylamine N-oxide

structure

CAS Number6682-26-4
PubChem CID6455374
IUPAC NameN,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine oxide
Molecular FormulaC20H21NO
Molecular Weight291.4
XLogP4.1
Topological Polar Surface Area18.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity409
SMILES
C[N+](C)(CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31)[O-]
InChI
InChI=1S/C20H21NO/c1-21(2,22)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3
InChIKey
CWVULMRJHWMZLY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-delta 5,alpha-propylamine N-oxide
CAS: 6682-26-4
CID: 6455374
Formula: C20H21NO
MW: 291.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.4
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass291.162314293
Monoisotopic Mass291.162314293
Topological Polar Surface Area18.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity409
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

Related Products

CatalogName
HY-165440Cyclobenzaprine
HY-B0740-01Cyclobenzaprine (hydrochloride)
HY-131631-01Desmethyl cyclobenzaprine (hydrochloride)
HY-B0740R-01Cyclobenzaprine (hydrochloride) (Standard)
HY-B0740S2Cyclobenzaprine-d6 (hydrochloride)
HY-B0740SCyclobenzaprine-d3 (hydrochloride)
HY-B0740S3Cyclobenzaprine-d3-1 (hydrochloride)
HY-B0740S1-01Cyclobenzaprine-13C, d3 (hydrochloride)
HY-W777433Cyclobenzaprine b-D-glucuronide
HY-W127842-01N, N-Dimethyldecylamine N-oxide

Alternative Products

CatalogName
TRC-C987760-25MGCyclobenzaprine N-Oxide
TRC-C987762-25MGCyclobenzaprine-d3 N-Oxide
CS-EO-02611-10MGN-Nitroso Desmethyl Cyclobenzaprine
007253Cyclobenzaprine N-β-D-Glucuronide
RM-C022616-01N-Nitroso-Desmethyl-Cyclobenzaprine
MBS6101808-01Cyclobenzaprine N-beta-D-Glucuronide
AR-C03774-01N-Desmethyl Cyclobenzaprine-d3 HCl
AR-C03772-01Cyclobenzaprine N-Glucuronide (Mixture of Diastereomers)
CS-O-57148N-Nitroso Desmethyl Cyclobenzaprine-d3
008549Desmethyl Cyclobenzaprine N-β-D-Glucuronide

Popular Products