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(Rac) -Desmethyl lacosamide

CAT: 0804-HY-W721593Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W721593Size:1 Each
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Description
(Rac) -Desmethyl lacosamide (formula V) is a Lacosamide impurity, and a key intermediate in the synthesis of Lacosamide[1].
CAS Number
171623-02-2
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Drug Intermediate
Related Pathways
Others
Field of Research
Others
Smiles
O=C(C)NC(CO)C(NCC1=CC=CC=C1)=O
Molecular Formula
C12H16N2O3
Molecular Weight
236.27
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Alberto Bologna, et al. Process for the synthesis of lacosamide. WO2011092559. 2010-12-22.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-acetamido-N-benzyl-3-hydroxypropanamide
CAS Number171623-02-2
PubChem CID21634104
IUPAC Name2-acetamido-N-benzyl-3-hydroxypropanamide
Molecular FormulaC12H16N2O3
Molecular Weight236.27
XLogP-0.3
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity262
SMILES
CC(=O)NC(CO)C(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C12H16N2O3/c1-9(16)14-11(8-15)12(17)13-7-10-5-3-2-4-6-10/h2-6,11,15H,7-8H2,1H3,(H,13,17)(H,14,16)
InChIKey
XRKSCJLQKGLSKU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-acetamido-N-benzyl-3-hydroxypropanamide
CAS: 171623-02-2
CID: 21634104
Formula: C12H16N2O3
MW: 236.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.27
XLogP3-0.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass236.11609238
Monoisotopic Mass236.11609238
Topological Polar Surface Area78.4 Ų
Heavy Atom Count17
Formal Charge0
Complexity262
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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