Basic information
- CAS
94-63-3- Standard SMILES
C[n+]1ccccc1C=NO.[I-]- InChIKey
QNBVYCDYFJUNLO-UHFFFAOYSA-N- Molecular formula
- C7H9IN2O
- Average molar mass
- 264.06 g/mol
- Monoisotopic mass
- 263.97596
Overview
See also: Pralidoxime Iodide (preferred); Pralidoxime (has active moiety).
Names & identifiers
- Preferred name
- 2-(Hydroxyiminomethyl)-1-methylpyridinium iodide
- IUPAC
- N-[(1-methylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide
- English name
- Pyridine-2-carboxaldoxime methiodide
- Molecular formula
- C7H9IN2O
- Molecular weight
- 264.06
Names & synonyms
2-(hydroxyiminomethyl)-1-methylpyridinium iodideCHEMBL14577SCHEMBL122696orb1704798SCHEMBL30263151HMS2230J10HMS3373M15s5100NS000789441-Methylpyridinium iodide, 2-hydroxyiminomethyl-N-[(1-methylpyridin-1-ium-2-yl)methylidene]hydroxylamine;iodidePRALIDOXIME IODIDE
Show more names
2-PAMPralidoxime Iodidp-2-amnsc-77602-pamiodideiodophosphineprotopamiodidePRALIDOXIMELODIDEpyridin-2-aldoxin
Database identifiers
- CAS
94-63-3- PubChem CID
- 65342
- ChEMBL
CHEMBL14577
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
Physicochemical properties
- Melting point
- 220 °C · 220 °C (dec.)(lit.)
- Density
- 1.7439 · 1.7439 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- 250 mg/mL · DMSO: 250 mg/mL (946.75 mM)
- form
- Solid
- color
- Light yellow to yellow
- Sensitive
- Light Sensitive
- Merck
- 13 · 13,7788
- InChI
- InChI=1S/C7H8N2O.HI/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H
- InChIKey
- QNBVYCDYFJUNLO-UHFFFAOYSA-N
- SMILES
- C1(/C=N/O)C=CC=C[N+]=1C.[I-]
- CAS DataBase Reference
- 94 · 94-63-3(CAS DataBase Reference)
- FDA UNII
- 7 H254VC0NT · 7H254VC0NT
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
- UU4375000
- hs_code
- 29333990
- Toxicity
- LD50 in mice (mg/kg): 140-178 i.v., 136-260 i.p., 290-340 s.c., 1500-4000 orally (Ellin, Wills)
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36-24
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Applications
UsesCholinesterase reactivator.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
河南宽展生物科技有限公司13939439944; 15660520685 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
湖南瑞威尔生物科技有限公司18627957289 18173226957 · [email protected]
江西瑞威尔生物科技有限公司18502728206 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
江西瑞威尔生物科技有限公司18502762009 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…