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
- External Links
- ChemSpider
- 58828211
- Predicted Properties
Property Value Source Water Solubility 0.00407 mg/mL ALOGPS logP 2.29 ALOGPS logP 3.45 Chemaxon logS -5 ALOGPS pKa (Strongest Acidic) 12.9 Chemaxon pKa (Strongest Basic) 3.08 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 73.42 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 107.41 m3·mol-1 Chemaxon Polarizability 39.93 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon