Ambenonium chlorideProduct ingredient for Ambenonium

Name
Ambenonium chloride
Drug Entry
Ambenonium

Ambenonium is a cholinesterase inhibitor. It is used in the management of myasthenia gravis.

Accession Number
DBSALT001309
Structure
Synonyms
Not Available
UNII
51FOB87G3I
CAS Number
115-79-7
Weight
Average: 608.47
Monoisotopic: 606.2061874
Chemical Formula
C28H42Cl4N4O2
InChI Key
DXUUXWKFVDVHIK-UHFFFAOYSA-N
InChI
InChI=1S/C28H40Cl2N4O2.2ClH/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30;;/h9-16H,5-8,17-22H2,1-4H3;2*1H
IUPAC Name
N,N'-bis(2-{[(2-chlorophenyl)methyl]diethylazaniumyl}ethyl)ethanedicarboximidate dihydrochloride
SMILES
Cl.Cl.CC[N+](CC)(CCN=C([O-])C([O-])=NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC1=CC=CC=C1Cl
ChemSpider
7987
ChEBI
2628
ChEMBL
CHEMBL1200541
Wikipedia
Ambenonium_chloride
Predicted Properties
PropertyValueSource
Water Solubility2.48e-06 mg/mLALOGPS
logP3.03ALOGPS
logP-2Chemaxon
logS-8.4ALOGPS
pKa (Strongest Acidic)5.52Chemaxon
pKa (Strongest Basic)0.63Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area70.84 Å2Chemaxon
Rotatable Bond Count15Chemaxon
Refractivity195.72 m3·mol-1Chemaxon
Polarizability58.84 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon