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Cyclobenzaprine hydrochloride

CAT: 0862-GP8769-5gSize: 5 gDry Ice: NoHazardous: Yes
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CAT#:0862-GP8769-5gSize:5 g
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CAS Number
6202-23-9
EC Number
228-264-4
UN Code
2811
MDL Number
MFCD00079039
HS Code
2921490090
Purity
98.00%
Molecular Formula
C20H21N · HCl
Molecular Weight
311.85
Storage Conditions
+20°C
Hazardous Class
True

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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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-B0740SCyclobenzaprine-d3 (hydrochloride)
HY-B0740S2Cyclobenzaprine-d6 (hydrochloride)

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