chempirical

Pilocarpine

C11H16N2O2CAS 92-13-7208.26 g/mol

Open in Covalent MOL file
OONN
EsterLactone

Properties

Molecular formula
C11H16N2O2
Molar mass
208.26 g/mol
Exact mass
208.1212 Da
Melting point
34 °C
Boiling point
260 °C
logP
1.16Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
92-13-7
SMILES
CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C
InChIKey
QCHFTSOMWOSFHM-WPRPVWTQSA-N
InChI
InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • 2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S,4R)-
  • 2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S-cis)-
  • (3S,4R)-3-Ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-2(3H)-furanone
  • Pilocarpol
  • Pilocarpine, (+)-
  • (+)-Pilocarpine
  • Pilokarpin
  • Syncarpine
  • Ocusert P 20
  • Ocusert pilo 40
  • Ocucarpine
  • Ocusert pilo
  • Spersacarpine

Work with Pilocarpine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pilocarpine hydrochloride54-71-793 % similar Pilocarpine nitrate148-72-178 % similar 3-Methylhistidine368-16-144 % similar Anserine584-85-038 % similar 2-Methylbutyl 2-methylbutanoate2445-78-538 % similar Diisooctyl 1,2-cyclohexanedicarboxylate84-71-932 % similar Arctigenin7770-78-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(Dimethylamino)ethyl p-aminobenzoate10012-47-2 tert-Butyl (4-aminophenyl)carbamate71026-66-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook