Pilocarpine nitrate
Properties
- Molecular formula
- C11H17N3O5
- Molar mass
- 271.27 g/mol
- Exact mass
- 271.1168 Da
- Melting point
- 178 °C
- logP
- 0.81Crippen estimate
- Polar surface area
- 107.5 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 3
- Stereocentres
- S, Rin SMILES atom order
Hazards
Danger
- H300 Fatal if swallowed99.1% of notifiers
- H330 Fatal if inhaled99.1% of notifiers
Aggregated from 113 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P270, P271, P284, P301+P316, P304+P340, P316, P320, P321, P330, P403+P233, P405, P501
Identifiers
CAS number
148-72-1SMILES
CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C.O=[N+]([O-])OInChIKey
PRZXEPJJHQYOGF-GNAZCLTHSA-NInChI
InChI=1S/C11H16N2O2.HNO3/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;2-1(3)4/h5,7-8,10H,3-4,6H2,1-2H3;(H,2,3,4)/t8-,10-;/m0./s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S,4R)-, nitrate (1:1)
- Pilocarpine, mononitrate
- 2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S-cis)-, mononitrate
- 2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S,4R)-, mononitrate
- Pilocarpine subnitrate
- Pilagan
- (+)-Pilocarpine nitrate
Work with Pilocarpine nitrate
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.
Similar compounds
5-Chloro-1-methyl-1H-imidazolium nitrate4531-53-744 % similar
3-Methylhistidine368-16-139 % similar
Anserine584-85-034 % similar
2-Methylbutyl 2-methylbutanoate2445-78-531 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.