(Rac) -Desmethyl lacosamide

CAT: 0013-GTR19281099-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19281099-01Size:10 mg

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Description

(Rac) -Desmethyl lacosamide (formula V) is both an impurity in the drug Lacosamide and a crucial intermediate in its synthesis.

CAS Number

171623-02-2

Smiles

O=C (NC (C (=O) NCC=1C=CC=CC1) CO) C

Molecular Formula

C12H16N2O3

Molecular Weight

236.27

Notes

For research use only.

Chemical Information

2-acetamido-N-benzyl-3-hydroxypropanamide

CAS Number	171623-02-2
PubChem CID	21634104
IUPAC Name	2-acetamido-N-benzyl-3-hydroxypropanamide
Molecular Formula	C12H16N2O3
Molecular Weight	236.27
XLogP	-0.3
Topological Polar Surface Area	78.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	17
Formal Charge	0
Complexity	262

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

CAS: 171623-02-2

CID: 21634104

Formula: C12H16N2O3

MW: 236.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.27
XLogP3	-0.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	236.11609238
Monoisotopic Mass	236.11609238
Topological Polar Surface Area	78.4 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	262
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19257521-01	O-Desmethyl Lacosamide
GTR19184234-01	Rac Desmethyl Citalopram Hydrochloride
GTR19243750-01	Rac Desmethyl Citalopram Hydrochloride
GTR19153747-01	Lacosamide
GTR19232470-01	Descarbonyl Lacosamide
GTR19281191-01	Lacosamide impurity 1
GTR19190452-01	Rac-Desethyl Oxybutynin (hydrochloride)
GTR19191196-01	Desmethyl Ranolazine
GTR19258621-01	Desmethyl thiosildenafil
GTR19171951-01	Desmethyl Erlotinib

Catalog	Name
HY-W721593	(Rac) -Desmethyl lacosamide
TRC-D291835-5MG	Desmethyl Lacosamide
AR-L06390-01	Rac-Lacosamide
008595-01	Desmethyl Lacosamide discontinued
TRC-D288325-100MG	Desacetyl Desmethyl Lacosamide
MBS5798534-01	O-Desmethyl Lacosamide
AR-L06403-01	Rac-Lacosamide-d3
TMID-0066-01	Rac-Lacosamide-d6
446196-01	Desacetyl Desmethyl Lacosamide discontinued
AR-L06414-01	N1-Nitroso rac-Lacosamide