Physostigmine salicylateProduct ingredient for Physostigmine

Name
Physostigmine salicylate
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
DBSALT001541
Structure
Thumb
Synonyms
Not Available
UNII
2046ZRO9VU
CAS Number
57-64-7
Weight
Average: 413.474
Monoisotopic: 413.195070981
Chemical Formula
C22H27N3O5
InChI Key
HZOTZTANVBDFOF-PBCQUBLHSA-N
InChI
InChI=1S/C15H21N3O2.C7H6O3/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;8-6-4-2-1-3-5(6)7(9)10/h5-6,9,13H,7-8H2,1-4H3,(H,16,19);1-4,8H,(H,9,10)/t13-,15+;/m1./s1
IUPAC Name
1-{[(3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl]oxy}-N-methylmethanimidic acid; 2-hydroxybenzoic acid
SMILES
OC(=O)C1=CC=CC=C1O.[H][C@]12N(C)CC[C@@]1(C)C1=C(C=CC(OC(O)=NC)=C1)N2C
ChemSpider
5771
ChEBI
48883
ChEMBL
CHEMBL338975
Predicted Properties
PropertyValueSource
Water Solubility1.01 mg/mLALOGPS
logP1.91ALOGPS
logP0.6ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)4.12ChemAxon
pKa (Strongest Basic)6.66ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area48.3 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity78.92 m3·mol-1ChemAxon
Polarizability30.17 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon