Isopilocarpine nitrate

Base Information

• Chemical Name: Isopilocarpine nitrate
• CAS No.: 5984-94-1
• Molecular Formula: C11H17N3O5
• Molecular Weight: 271.27
• European Community (EC) Number: 227-800-4
• UNII: 28Y02I9K4P
• Wikidata: Q27254351
• Mol file: 5984-94-1.mol

Synonyms:ISOPILOCARPINE NITRATE;5984-94-1;Isopilocarpine, nitrate;beta-Pilocarpine nitrate;beta-Pilocarpidine, nitrate;UNII-28Y02I9K4P;28Y02I9K4P;EINECS 227-800-4;NSC 93129;(3R,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one;nitric acid;2(3H)-Furanone, 3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-, (3R-trans)-, mononitrate;C11-H16-N2-O2.H-N-O3;NSC-93129;2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3R-trans)-, mononitrate;SPECTRUM300340;SCHEMBL726745;.BETA.-PILOCARPINE NITRATE;HMS1921P07;MFCD00082482;CCG-214778;Q27254351;2(3H)-FURANONE, 3-ETHYLDIHYDRO-4-((1-METHYL-1H-IMIDAZOL-5-YL)METHYL)-, (3R,4R)-, NITRATE (1:1)

Chemical Property of Isopilocarpine nitrate

Chemical Property:

• Vapor Pressure: 1.16E-07mmHg at 25°C
• Melting Point: 157℃
• Boiling Point: 431.8°C at 760 mmHg
• Flash Point: 215°C
• PSA: 110.17000
• LogP: 1.33730
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 271.11682065
• Heavy Atom Count: 19
• Complexity: 270

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+:Very toxic
• Statements: R26/28:Very toxic by inhalation and if swallowed.
• Safety Statements: S25:Avoid contact with eyes.; S45:In case of accident of if you feel unwell, seek medical advice immediately (show the la

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C(COC1=O)CC2=CN=CN2C.[N+](=O)(O)[O-]
• Isomeric SMILES: CC[C@@H]1[C@H](COC1=O)CC2=CN=CN2C.[N+](=O)(O)[O-]
• Uses: Isopilocarpine Nitrate is an impurity of Pilocarpine (P441500), Antiglaucoma agent; miotic; sialogogue.