PHYSOSTIGMINE SALICYLATE

Base Information

• Chemical Name: PHYSOSTIGMINE SALICYLATE
• CAS No.: 57-64-7
• Deprecated CAS: 11033-04-8,11036-66-1
• Molecular Formula: C15H21N3O2•C7H6O3
• Molecular Weight: 413.473
• Hs Code.: 2939800000
• European Community (EC) Number: 200-343-8
• NSC Number: 757275
• UN Number: 2811,2757
• UNII: 2046ZRO9VU
• DSSTox Substance ID: DTXSID80883232
• Wikidata: Q27121383
• NCI Thesaurus Code: C81336
• RXCUI: 33656
• Pharos Ligand ID: W2UV4MXDP5AB
• ChEMBL ID: CHEMBL338975
• Mol file: 57-64-7.mol

Synonyms:Eserinesalicylatesalt;Physostigminesalicylate

Chemical Property of PHYSOSTIGMINE SALICYLATE

Chemical Property:

• Appearance/Colour: Colourless crystals; odourless.
• Vapor Pressure: 1.25E-14mmHg at 25°C
• Melting Point: 181-183 °C
• Boiling Point: 393.5 °C at 760 mmHg
• PKA: pKa 1.96/8.08(H2O,t =15) (Uncertain)
• Flash Point: 191.8 °C
• PSA: 102.34000
• Density: g/cm³
• LogP: 3.25810
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 413.19507097
• Heavy Atom Count: 30
• Complexity: 535
• Transport DOT Label: Poison

Purity/Quality:

98% ^*data from raw suppliers

Physostigmine salicylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 26/28
• Safety Statements: 25-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC)C)C.C1=CC=C(C(=C1)C(=O)O)O
• Isomeric SMILES: C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC)C)C.C1=CC=C(C(=C1)C(=O)O)O
• Recent EU Clinical Trials: PHANOS (PHysostigmine-enHAnced Opioid analgeSia) study
• Uses: Physostigmine salicylate (Eserine salicylate) is used as bulk pharmaceuticals (parasympathomimetic, cholinergic, ophthalmic, anti-Alzheimer). Product Data Sheet cholinergic, anticholinesterase, miotic