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Cyclobenzaprine hydrochloride

CAT: 1410-M15348-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Cyclobenzaprine hydrochloride is a muscle relaxant by blocking pain sensations, used for the treatment of muscle spasms.
CAS Number
6202-23-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
311.86
Molecular Formula
C20H22ClN
Notes
Research use only, not for human use.
Receptor
5-HT

Chemical Information

Cyclobenzaprine Hydrochloride

Cyclobenzaprine hydrochloride is the hydrochloride salt of cyclobenzaprine. A centrally acting skeletal muscle relaxant, it is used in the symptomatic treatment of painful muscle spasm. It has a role as an antidepressant and a muscle relaxant. It contains a cyclobenzaprine. It derives from a hydride of a dibenzo[a,d][7]annulene.

CAS Number6202-23-9
PubChem CID22576
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;hydrochloride
Molecular FormulaC20H22ClN
Molecular Weight311.8
Topological Polar Surface Area3.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity365
SMILES
CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31.Cl
InChI
InChI=1S/C20H21N.ClH/c1-21(2)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;1H
InChIKey
VXEAYBOGHINOKW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclobenzaprine Hydrochloride
CAS: 6202-23-9
CID: 22576
Formula: C20H22ClN
MW: 311.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight311.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass311.1440774
Monoisotopic Mass311.1440774
Topological Polar Surface Area3.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity365
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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268809-01Cyclobenzaprine hydrochloride
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