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Cyclobenzaprine USP Rc A

CAT: 1299-RM-C022611-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C022611-01Size:10 mg
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CAS Number
18029-54-4
Synonyms
3- (5-Hydroxy-5H-dibenzo[a, d]cyclohepten-5-yl) -N, N-dimethyl-propylamine
Molecular Formula
C20H23NO
Molecular Weight
293.4
Target Alternative Name
Cyclobenzaprine
Product Name Synonym
3- (5-Hydroxy-5H-dibenzo[a, d]cyclohepten-5-yl) -N, N-dimethyl-propylamine

Chemical Information

5-(3-(Dimethylamino)propyl)-5H-dibenzo(a,d)-cyclohepten-5-ol
CAS Number18029-54-4
PubChem CID87418
IUPAC Name2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
Molecular FormulaC20H23NO
Molecular Weight293.4
XLogP3.8
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity363
SMILES
CN(C)CCCC1(C2=CC=CC=C2C=CC3=CC=CC=C31)O
InChI
InChI=1S/C20H23NO/c1-21(2)15-7-14-20(22)18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20/h3-6,8-13,22H,7,14-15H2,1-2H3
InChIKey
VMLRQKQUOMJJAN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(3-(Dimethylamino)propyl)-5H-dibenzo(a,d)-cyclohepten-5-ol
CAS: 18029-54-4
CID: 87418
Formula: C20H23NO
MW: 293.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight293.4
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass293.177964357
Monoisotopic Mass293.177964357
Topological Polar Surface Area23.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity363
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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