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O-Desmethyl Lacosamide

CAT: 0931-T37703-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T37703-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
175481-38-6
Target
Drug Metabolite
Related Pathways
Metabolism
Bioactivity
O-Desmethyl lacosamide is a potential impurity found in commercial preparations of lacosamide) .1,2
Smiles
CC(=O)N[C@H](CO)C(=O)NCc1ccccc1
Molecular Formula
C12H16N2O3
Molecular Weight
236.271
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(R)-N-Benzyl-2-acetamido-3-hydroxypropionamide

O-Desmethyl-lacosamide is a N-acyl-amino acid.

CAS Number175481-38-6
PubChem CID10889901
IUPAC Name(2R)-2-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)N[C@H](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)/t11-/m1/s1
InChIKey
XRKSCJLQKGLSKU-LLVKDONJSA-N
Chemical Structure
2D Structure
2D structure of (R)-N-Benzyl-2-acetamido-3-hydroxypropionamide
CAS: 175481-38-6
CID: 10889901
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 Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5798534-01O-Desmethyl Lacosamide
TRC-D294770-100MGO-Desmethyl N-Methyl Lacosamide
TRC-D291835-5MGDesmethyl Lacosamide
461256-01O-Desmethyl N-Methyl Lacosamide discontinued
008595-01Desmethyl Lacosamide discontinued
TRC-D288325-100MGDesacetyl Desmethyl Lacosamide
HY-W721593(Rac) -Desmethyl lacosamide
446196-01Desacetyl Desmethyl Lacosamide discontinued
TRC-A179900-10MGO-Acetyl Lacosamide
RM-L031934-01Lacosamide EP Impurity E (R-Isomer) (Desacetyl Desmethyl Lacosamide)

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