Ganstigmine hydrochlorideProduct ingredient for Ganstigmine

Name
Ganstigmine hydrochloride
Drug Entry
Ganstigmine

Ganstigmine is an orally active, geneserine derived, carbamate-based acetylcholinesterase inhibitor developed for the treatment of Alzheimer's disease.

Accession Number
DBSALT002858
Structure
Synonyms
Ganstigmine HCl
External IDs
CHF 2819 / CHF-2819
UNII
19OP2S99RQ
CAS Number
412044-92-9
Weight
Average: 403.91
Monoisotopic: 403.1662694
Chemical Formula
C21H26ClN3O3
InChI Key
CVDHRWXJJRBPFA-FKXUWVMKSA-N
InChI
InChI=1S/C21H25N3O3.ClH/c1-4-14-7-5-6-8-17(14)23-20(25)27-15-9-10-18-16(13-15)21(2)11-12-24(3,26)19(21)22-18;/h5-10,13,19,22H,4,11-12H2,1-3H3,(H,23,25);1H/t19-,21-,24+;/m0./s1
IUPAC Name
(1R,3aS,8aS)-5-{[(2-ethylphenyl)carbamoyl]oxy}-1,3a-dimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-1-ium-1-olate hydrochloride
SMILES
Cl.CCC1=CC=CC=C1NC(=O)OC1=CC=C2N[C@@H]3[C@@](C)(CC[N@@+]3(C)[O-])C2=C1
ChemSpider
58828211
Predicted Properties
PropertyValueSource
Water Solubility0.00407 mg/mLALOGPS
logP2.29ALOGPS
logP3.45Chemaxon
logS-5ALOGPS
pKa (Strongest Acidic)12.9Chemaxon
pKa (Strongest Basic)3.08Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area73.42 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity107.41 m3·mol-1Chemaxon
Polarizability39.93 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon