Physostigmine SulfateProduct ingredient for Physostigmine
- Name
- Physostigmine Sulfate
- Drug Entry
- Physostigmine
A cholinesterase inhibitor that is rapidly absorbed through membranes. It can be applied topically to the conjunctiva. It also can cross the blood-brain barrier and is used when central nervous system effects are desired, as in the treatment of severe anticholinergic toxicity.
- Accession Number
- DBSALT000243
- Structure
Structure for Physostigmine Sulfate (DBSALT000243)
- Synonyms
- Not Available
- UNII
- G63V2J2N71
- CAS Number
- 64-47-1
- Weight
- Average: 648.771
Monoisotopic: 648.294133104 - Chemical Formula
- C30H44N6O8S
- InChI Key
- YYBNDIVPHIWTPK-KYJQVDHRSA-N
- InChI
- InChI=1S/2C15H21N3O2.H2O4S/c2*1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;1-5(2,3)4/h2*5-6,9,13H,7-8H2,1-4H3,(H,16,19);(H2,1,2,3,4)/t2*13-,15+;/m11./s1
- IUPAC Name
- bis(1-{[(3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl]oxy}-N-methylmethanimidic acid); sulfuric acid
- SMILES
- OS(O)(=O)=O.[H][C@]12N(C)CC[C@@]1(C)C1=C(C=CC(OC(O)=NC)=C1)N2C.[H][C@]12N(C)CC[C@@]1(C)C1=C(C=CC(OC(O)=NC)=C1)N2C
- External Links
- PubChem Compound
- 6150
- ChemSpider
- 5918
- ChEMBL
- CHEMBL2105891
- Predicted Properties
Property Value Source Water Solubility 1.01 mg/mL ALOGPS logP 1.91 ALOGPS logP 0.6 Chemaxon logS -2.4 ALOGPS pKa (Strongest Acidic) 4.12 Chemaxon pKa (Strongest Basic) 6.66 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 48.3 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 78.92 m3·mol-1 Chemaxon Polarizability 30.17 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon