Flupirtine Impurity A (Impurity I)

CAT: 1596-AR-F01795-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-F01795-01Size:10 Units

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CAS Number

951624-49-0

Synonyms

5- ((4-fluorobenzyl) amino) -1H-imidazo[4,5-b]pyridin-2 (3H) -one; Flupirtine Maleate Impurity A

Molecular Formula

C13H11FN4O

Molecular Weight

258.26

API Name

Flupirtine

Chemical Information

5-[[(4-Fluorophenyl)methyl]amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

CAS Number	951624-49-0
PubChem CID	17036706
IUPAC Name	5-[(4-fluorophenyl)methylamino]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
Molecular Formula	C13H11FN4O
Molecular Weight	258.25
XLogP	1.7
Topological Polar Surface Area	66.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	333

SMILES

C1=CC(=CC=C1CNC2=NC3=C(C=C2)NC(=O)N3)F

InChI

InChI=1S/C13H11FN4O/c14-9-3-1-8(2-4-9)7-15-11-6-5-10-12(17-11)18-13(19)16-10/h1-6H,7H2,(H3,15,16,17,18,19)

InChIKey

GEBXVBUWZIPSFP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 951624-49-0

CID: 17036706

Formula: C13H11FN4O

MW: 258.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	258.25
XLogP3	1.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	258.09168915
Monoisotopic Mass	258.09168915
Topological Polar Surface Area	66.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	333
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-F01804-01	Flupirtine Maleate Impurity I
AR-F01809-01	Flupirtine Impurity H
AR-F10486-01	Flupirtine Impurity 1
AR-F01808-01	Flupirtine Impurity D
AR-F01797-01	Flupirtine Maleate Impurity A
AR-F10487-01	Flupirtine Impurity 2
AR-F01801-01	Flupirtine Maleate Impurity E
AR-F01800-01	Flupirtine Maleate Impurity D
AR-F01805-01	Flupirtine Dimer Impurity 1
AR-F01803-01	Flupirtine Maleate Impurity G

Catalog	Name
RM-F223501-01	Flupirtine Impurity A
RM-F223505-01	Flupirtine Impurity 1
RM-F223506-01	Flupirtine Impurity 2
RM-F223502-01	Flupirtine Impurity B
RM-F223507-01	Flupirtine Impurity 3
CS-EO-02657	N-Nitroso Flupirtine Dimer Impurity
CS-EO-02658	N-Nitroso Flupirtine Dimer Impurity 1
RM-G271003-01	Gc376 Impurity 3; Nirmatrelvir Impurity
RM-G271002-01	Gc376 Impurity 2; Nirmatrelvir Impurity
RM-R210208-01	Rivaroxaban Impurity I (Potential Impurity)