Physostigmine hydrochloride

Base Information

• Chemical Name: Physostigmine hydrochloride
• CAS No.: 6091-12-9
• Molecular Formula: C15H21 N3 O2 . Cl H
• Molecular Weight: 311.81
• European Community (EC) Number: 228-031-7
• DSSTox Substance ID: DTXSID20976379
• ChEMBL ID: CHEMBL537674
• Mol file: 6091-12-9.mol

Synonyms:Physostigmine hydrochloride;ESERINE HYDROCHLORIDE;6091-12-9;EINECS 228-031-7;CHEMBL537674;Physostigmine HCl;SCHEMBL7581684;DTXSID20976379;LS-185817;1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl hydrogen methylcarbonimidate--hydrogen chloride (1/1)

Chemical Property of Physostigmine hydrochloride

Chemical Property:

• Vapor Pressure: 2.12E-06mmHg at 25°C
• Boiling Point: 393.5°C at 760 mmHg
• Flash Point: 191.8°C
• PSA: 44.81000
• LogP: 2.96970
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 311.1400546
• Heavy Atom Count: 21
• Complexity: 403

Purity/Quality:

99% ^*data from raw suppliers

ESERINE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC)C)C.Cl
• Isomeric SMILES: C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC)C)C.Cl

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