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6091-11-8

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Basic Information
CAS No.: 6091-11-8
Name: physostigmine methiodide
Molecular Structure:
Molecular Structure of 6091-11-8 (physostigmine methiodide)
Formula: C15H21N3O2•CH3I
Molecular Weight: 417.33
Synonyms: physostigmine methiodide
Density: 1.411g/cm3
Safety: Poison by ingestion and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and I−.
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Chemistry

IUPAC name: [(3aR,8bS)-3,4,4,8b-Tetramethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-4-ium-7-yl] N-methylcarbamate iodide 
Canonical SMILES: CC12CCN(C1[N+](C3=C2C=C(C=C3)OC(=O)NC)(C)C)C.[I-]
Isomeric SMILES: C[C@@]12CCN([C@@H]1[N+](C3=C2C=C(C=C3)OC(=O)NC)(C)C)C.[I-]
Molecular Formula: C16H24IN3O2
Molecular Weight: 417.285130 g/mol
Following is the structure of Physostigmine methiodide (CAS NO.6091-11-8):
      

Toxicity Data With Reference

1.    

orl-mus LDLo:250 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 43 (1931),413.
2.    

ivn-mus LDLo:750 µg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 43 (1931),413.

Safety Profile

Poison by ingestion and intravenous routes. When heated to decomposition, it emits very toxic fumes of NOx and I−.

Specification

 Physostigmine methiodide , its cas register number is 6091-11-8. It also can be called AR-45 .