Pralidoxime Impurity 4

CAT: 1299-RM-P223004-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P223004-01Size:10 mg

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CAS Number

3861-69-6

Synonyms

2-carbamoyl-1-methylpyridin-1-ium iodide

Molecular Formula

C7H9IN2O

Molecular Weight

264.07

Target Alternative Name

Pralidoxime

Product Name Synonym

2-carbamoyl-1-methylpyridin-1-ium iodide

Chemical Information

Pyridinium, 2-(aminocarbonyl)-1-methyl-, iodide

CAS Number	3861-69-6
PubChem CID	199246
IUPAC Name	1-methylpyridin-1-ium-2-carboxamide iodide
Molecular Formula	C7H9IN2O
Molecular Weight	264.06
Topological Polar Surface Area	47
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	136

SMILES

C[N+]1=CC=CC=C1C(=O)N.[I-]

InChI

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

InChIKey

LDTGIGXFXUHJNM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3861-69-6

CID: 199246

Formula: C7H9IN2O

MW: 264.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	264.06
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	263.97596
Monoisotopic Mass	263.97596
Topological Polar Surface Area	47 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	136
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	2
Compound Is Canonicalized	Yes

Catalog	Name
RM-P223003-01	Pralidoxime Impurity 3
RM-P223007-01	Pralidoxime Impurity 7
RM-P223002-01	Pralidoxime Impurity 2
RM-P223001-01	Pralidoxime Impurity 1
RM-P223006-01	Pralidoxime Impurity 6
RM-P223005-01	Pralidoxime Impurity 5
RM-P223000-01	Pralidoxime Chloride
RM-G271004-01	Gc376 Impurity 4; Nirmatrelvir Impurity
RM-P052104-01	Pelubiprofen Impurity 4
RM-C310004-01	Ceftibuten Impurity 4

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