Pilocarpine pamoateProduct ingredient for Pilocarpine

Name
Pilocarpine pamoate
Drug Entry
Pilocarpine

A naturally occurring alkaloid derived from the Pilocarpus plants, pilocarpine is a muscarinic acetylcholine agonist.1,2 Pilocarpine is associated with parasympathomimetic effects by selectively working on muscarinic receptors.2 Pilocarpine is used to treat dry mouth and various ophthalmic conditions, including elevated intraocular pressure and glaucoma. The usage of glaucoma by pilocarpine dates back to 1875.3

Accession Number
DBSALT003476
Structure
Synonyms
2-NAPHTHALENECARBOXYLIC ACID, 4,4'-METHYLENEBIS(3-HYDROXY-, COMPD. WITH (3S-CIS)-3-ETHYLDIHYDRO-4((1-METHYL-1H-IMIDAZOL-5-YL)METHYL)-2(3H)-FURANONE (1:2) / DIPILOCARPINE PAMOATE
UNII
9O3667EIIX
CAS Number
63036-94-2
Weight
Average: 804.897
Monoisotopic: 804.337043762
Chemical Formula
C45H48N4O10
InChI Key
ZCECPEINCZVBPT-IWXKTIJTSA-N
InChI
InChI=1S/C23H16O6.2C11H16N2O2/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;2*1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*5,7-8,10H,3-4,6H2,1-2H3/t;2*8-,10-/m.00/s1
IUPAC Name
bis((3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]oxolan-2-one); 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid
SMILES
CC[C@H]1[C@@H](CC2=CN=CN2C)COC1=O.CC[C@H]1[C@@H](CC2=CN=CN2C)COC1=O.OC(=O)C1=CC2=C(C=CC=C2)C(CC2=C3C=CC=CC3=CC(C(O)=O)=C2O)=C1O
ChemSpider
4956816
Predicted Properties
PropertyValueSource
logP6.05Chemaxon
pKa (Strongest Acidic)2.38Chemaxon
pKa (Strongest Basic)-6.2Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area115.06 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity107.17 m3·mol-1Chemaxon
Polarizability38.83 Å3Chemaxon
Number of Rings8Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon