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Desmethyl Boc-Cyclobenzaprine

CAT: 1459-CS-T-52213Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-52213Size:1 Each
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Description
Desmethyl Boc-Cyclobenzaprine is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Cyclobenzaprine. The product is supplied by Clearsynth under CAT No. CS-T-52213. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
1346604-04-3
Synonyms
Desmethyl Boc-Cyclobenzaprine
Molecular Formula
C 24 H 27 NO 2
Molecular Weight
361.48
Additionnal Information
Desmethyl Boc-Cyclobenzaprine is supplied with detailed characterization data compliant with regulatory guideline. Desmethyl Boc-Cyclobenzaprine can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Cyclobenzaprine.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

Desmethyl Boc-Cyclobenzaprine
CAS Number1346604-04-3
PubChem CID71315728
IUPAC Nametert-butyl N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propyl]carbamate
Molecular FormulaC24H27NO2
Molecular Weight361.5
XLogP5.5
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity543
SMILES
CC(C)(C)OC(=O)N(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31
InChI
InChI=1S/C24H27NO2/c1-24(2,3)27-23(26)25(4)17-9-14-22-20-12-7-5-10-18(20)15-16-19-11-6-8-13-21(19)22/h5-8,10-16H,9,17H2,1-4H3
InChIKey
FRZTVRMGHLWCSK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Desmethyl Boc-Cyclobenzaprine
CAS: 1346604-04-3
CID: 71315728
Formula: C24H27NO2
MW: 361.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.5
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass361.204179104
Monoisotopic Mass361.204179104
Topological Polar Surface Area29.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity543
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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