2-Pyridine aldoxime methohalide

ID: ALA748

Chembl Id: CHEMBL748

Max Phase: Approved

First Approval: 1964

Molecular Formula: C7H9ClN2O

Molecular Weight: 137.16

Molecule Type: Small molecule

Names and Identifiers

Synonyms: 2-PAM | 2-PAM Chloride | Pralidoxime chloride | Protopam | 2-PAM | 2-PAM CHLORIDE | NSC-164614

Trade Names(7): 2-Pam | Contrathion | Duodote | Pralidoxime chloride | Pralidoxime chloride (autoinjector) | Protopam | Protopam chloride

Canonical SMILES:  C[n+]1ccccc1/C=N/O.[Cl-]

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

Standard InChI Key:  HIGSLXSBYYMVKI-UHFFFAOYSA-N

Molecule Features

Natural Product: No

Oral: Yes

Chemical Probe: No

Parenteral: Yes

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: Yes

Availability: Yes

Prodrug: No

Calculated Properties

Molecular Weight: 137.16

Molecular Weight (Monoisotopic): 137.0709

AlogP: 0.32

#Rotatable Bonds: 1

Polar Surface Area: 36.47

Molecular Species: NEUTRAL

HBA: 2

HBD: 1

#RO5 Violations: ┄

HBA (Lipinski): 3

HBD (Lipinski): 1

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: 7.63

CX Basic pKa: ┄

CX LogP: -3.26

CX LogD: -3.44

Aromatic Rings: 1

Heavy Atoms: 10

QED Weighted: 0.26

Np Likeness Score: -0.40

References

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Source

Source(7):

• Scientific Literature
• PubChem BioAssays
• FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book)
• USP Dictionary of USAN and International Drug Names
• DrugMatrix
• CO-ADD antimicrobial screening data
• SARS-CoV-2 Screening Data 2020-21