Basic information
- CAS
4354-74-9- Standard SMILES
CCC1C(=O)OCC1Cc1cncn1C- InChIKey
QCHFTSOMWOSFHM-UHFFFAOYSA-N- Molecular formula
- C11H16N2O2
- Average molar mass
- 208.26 g/mol
- Monoisotopic mass
- 208.12117776
Overview
Xi,xi-pilocarpine is a butan-4-olide and a member of imidazoles.
Names & identifiers
- Preferred name
- 2(3H)-Furanone, 3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-, (3S-cis)-
- IUPAC
- 3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
- English name
- 2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-
- Molecular formula
- C11H16N2O2
- Molecular weight
- 208.26
Names & synonyms
2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S-cis)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one3-ethyl-4-((3-methylimidazol-4-yl)methyl)oxolan-2-one2(3H)-Furanone, 3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-, (3S-cis)-RefChem:10587283-Ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one4354-74-9Pilocarpine-xi,xi-pilocarpineOcucarpine; Ocusert P 20; Ocusert PiloSalagen (Salt/Mix)Pilocarpine, (+)-
Show more names
Pilocarpine Impurity 72(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-
Almocarpine (Salt/Mix)SCHEMBL41890CHEMBL4073182CHEBI:39460Pilocarpine-d3 HCl (deuterated)DTXSID70858994QCHFTSOMWOSFHM-UHFFFAOYSA-N3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]oxolan-2-one
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
Experimental & physicochemical properties
DrugsPharmaceuticals
Human DrugsBreast Feeding; Lactation; Antiglaucoma Agents; Miotics; Muscarinic Agonists; Parasympathomimetics;
Physicochemical properties
- Boiling point
- 431.8 · 431.8±18.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 7.02 · 7.02±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Chemistry & industry
Suppliers1 total
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Additional notes
DefinitionChEBI: Xi,xi-pilocarpine is a member of imidazoles and a butan-4-olide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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