Basic information
- CAS
51-15-0- Standard SMILES
C[n+]1ccccc1C=NO.[Cl-]- InChIKey
HIGSLXSBYYMVKI-UHFFFAOYSA-N- Molecular formula
- C7H9ClN2O
- Average molar mass
- 172.61 g/mol
- Monoisotopic mass
- 172.0403406
Overview
See also: Pralidoxime Chloride (preferred); Pralidoxime (has active moiety); Atropine; pralidoxime chloride (component of).
Names & identifiers
- Preferred name
- 1-Methylpyridinium-2-aldoxime Chloride
- IUPAC
- N-[(1-methylpyridin-1-ium-2-yl)methylidene]hydroxylamine chloride
- English name
- Pralidoxime Chloride
- Molecular formula
- C7H9ClN2O
- Molecular weight
- 172.61
Names & synonyms
1-Methylpyridinium-2-aldoxime Chloride[(E)-(1-methylpyridin-2-ylidene)methyl]-oxoazanium;chloridePyridinium, 2-formyl-1-methyl-, oxime (8CI)SCHEMBL61420orb1224868orb1309736HMS2093L03HMS2232F12HMS3369N18s4575AKOS016339594CCG-213450
Show more names
PAM-CL2-PAM-ClprotopamPyraloximePAM CHLORIDE2-PAM CHLORIDEprotopamchloridePyraloxime chloridePRALIDOXIME CHLORIDEPralidoxome Chloride
KS-53242-formyl 1-methyl pyridinium oxime chlorideM0819NS00078837SR-01000721910SR-01000721910-3Q27108058
Database identifiers
- CAS
51-15-0- PubChem CID
- 5797
Properties
Computed structural properties
- Topological polar surface area
- 36.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 125
Experimental & physicochemical properties
Collision Cross Section122.6 Ų [M]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 230 °C · 230 °C (lit.)
- Density
- 1.3265 · 1.3265 (rough estimate)
- refractive index
- 1.543 · 1.5430 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Methanol (Slightly), Water (Sparingly)
- pka
- 7.8 · pKa 7.8-8 (Uncertain)
- form
- Solid
- color
- White to Off-White
- biological source
- synthetic (organic)
- Water Solubility
- 65.5 g/100 · 65.5 g/100 mL (25 ºC)
- Merck
- 14 · 14,7703
- BRN
- 4163981 · 4163981
- InChI
- InChI=1S/C7H8N2O.ClH/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- UU4200000
- hs_code
- 29333999
- Toxicity
- LD50 in rats (mg/kg): 96 i.v. (Fleisher); LD50 in rabbits (mg/kg): 95 i.v.; LD50 in mice (mg/kg): 115 i.v., 205 i.p., 4100 orally (Ellin, Wills)
- risk_code
- 20/21/22-36/37/38-20/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36-37/39-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312+H332
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
- Precautionary statements
- P261-P280-P301+P312+P330
Chemistry & industry
Applications
Usesvitamin B6, enzyme cofactor
UsesThis compound binds to inactivated acetylcholinesterases and is used to combat poisoning from organophosphates and nerve agents
General DescriptionPralidoxime chloride, 2-formyl-1-methylpyridinium chloride oxime, 2-PAM chloride,or 2-pyridine aldoxime methyl chloride (Protopamchloride), is a white, nonhygroscopic, crystalline powderthat is soluble in water, 1 g in less than 1 mL.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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