Pralidoxime Impurity 7

CAT: 1299-RM-P223007-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P223007-01Size:10 mg

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CAS Number

13698-37-8

Synonyms

(Z) -2- ((hydroxyimino) methyl) -1-methylpyridin-1-ium chloride

Molecular Formula

C7H9ClN2O

Molecular Weight

172.61

Target Alternative Name

Pralidoxime

Product Name Synonym

(Z) -2- ((hydroxyimino) methyl) -1-methylpyridin-1-ium chloride

Chemical Information

Pralidoxime chloride, (Z)-

See also: Pralidoxime Chloride (preferred); Pralidoxime (has active moiety); Atropine; pralidoxime chloride (component of).

CAS Number	13698-37-8
PubChem CID	135747268
IUPAC Name	(NZ)-N-[(1-methylpyridin-1-ium-2-yl)methylidene]hydroxylamine chloride
Molecular Formula	C7H9ClN2O
Molecular Weight	172.61
Topological Polar Surface Area	36.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	125

SMILES

C[N+]1=CC=CC=C1/C=N\O.[Cl-]

InChI

InChI=1S/C7H8N2O.ClH/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H

InChIKey

HIGSLXSBYYMVKI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13698-37-8

CID: 135747268

Formula: C7H9ClN2O

MW: 172.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.61
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	172.0403406
Monoisotopic Mass	172.0403406
Topological Polar Surface Area	36.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	125
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
HY-B1738	Pralidoxime
592128	Pralidoxime iodide
318556	Pralidoxime Chloride
MBS5813002	Pralidoxime mesylate
HY-B1738B	Pralidoxime (methanesulfonate)
HY-B1200-01	Pralidoxime (chloride)
HY-B1738A-01	Pralidoxime (iodide)