AMBENONIUM CHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 51FOB87G3I
EPA CompTox DTXSID3022582

Structure

InChI Key DXUUXWKFVDVHIK-UHFFFAOYSA-N
Smiles CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl.[Cl-].[Cl-]
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H42Cl4N4O2
Molecular Weight 608.48
AlogP 4.64
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 14.0
Polar Surface Area 58.2
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 36.0

Pharmacology

Mechanism of Action Action Reference
Acetylcholinesterase inhibitor INHIBITOR FDA

Target Conservation

Protein: Acetylcholinesterase
Description: Acetylcholinesterase
Organism : Homo sapiens
P22303 ENSG00000087085

Cross References

Resources Reference
ChEBI 2628
ChEMBL CHEMBL1200541
FDA SRS 51FOB87G3I
KEGG C07773
PubChem 8288
SureChEMBL SCHEMBL133487
ZINC ZINC03995599
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