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Cyclobenzaprine Hydrochloride

CAT: 0024-sc-217981Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-217981Size:1 g
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CAS Number
6202-23-9

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
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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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Alternative Products

CatalogName
268809-01Cyclobenzaprine hydrochloride
HY-B0740-01Cyclobenzaprine (hydrochloride)
CS-O-02918Cyclobenzaprine-d3 Hydrochloride
HY-131631-01Desmethyl cyclobenzaprine (hydrochloride)
MBS6021021-01Desmethyl Cyclobenzaprine Hydrochloride
CS-EO-02373Cyclobenzaprine-D6 Hydrochloride
HY-B0740R-01Cyclobenzaprine (hydrochloride) (Standard)
HY-B0740S2Cyclobenzaprine-d6 (hydrochloride)
HY-B0740SCyclobenzaprine-d3 (hydrochloride)

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