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

Hazards

Danger
Acute Toxic (GHS06)

Harmonised EU classification (CLP Annex VI, index 614-016-00-6), via PubChem.

Precautionary statements

P260, P264, P270, P271, P284, P301+P316, P304+P340, P316, P320, P321, P330, P403+P233, P405, P501

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Pilocarpine hydrochloride54-71-7Salt Pilocarpine nitrate148-72-1Salt

Similar compounds

3-Methylhistidine368-16-144 % similar Anserine584-85-038 % similar 2-Methylbutyl 2-methylbutanoate2445-78-538 % similar 1-Methyl-5-aminomethylimidazole486414-86-237 % similar Methyl 1-methyl-1H-imidazole-5-carboxylate17289-20-233 % similar Diisooctyl 1,2-cyclohexanedicarboxylate84-71-932 % similar 1-Methyl-1H-imidazole-5-carboxylic acid41806-40-032 % 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 2-(N-Boc-Amino)-3-methylpyridine138343-75-6 N-(tert-Butoxycarbonyl)-1,2-phenylenediamine146651-75-4 2-Methoxy-4-morpholinoaniline209960-91-8 N-Boc-M-phenylenediamine68621-88-5 tert-Butyl (4-aminophenyl)carbamate71026-66-9 3-Ethyl-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-A]pyrimidin-4-one849903-79-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook