General Information of the Compound
Compound ID
CP0423445
Compound Name
EDROPHONIUM BROMIDE
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Synonyms
(3-hydroxyphenyl)dimethylethylammonium
3-hydroxy-N,N-dimethyl-N-ethylanilinium
EDR
EDROPHONIUM ION
ENLON-PLUS
Edrophone Chloride
Edrophonium
Edrophonum
Edroponium
Enlon (TN)
Enlon Plus
Ethyl-(3-hydroxy-phenyl)-dimethyl-ammonium
Ethyl-(3-hydroxyphenyl)-dimethylazanium
N-ethyl-3-hydroxy-N,N-dimethylanilinium
N-ethyl-3-hydroxy-N,N-dimethylbenzenaminium
Reversol
Reversol (TN)
Tensilon
Tensilon (TN)
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Structure
Formula
C10H16NO+
Molecular Weight
166.244
Canonical SMILES
CC[N+](C)(C)c1cccc(O)c1
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InChI
InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1
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InChIKey
VWLHWLSRQJQWRG-UHFFFAOYSA-O
CAS
312-48-1
Physicochemical Property
logP
1.979
Rotatable Bonds
2
Heavy Atom Count
12
Polar Areas
20.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
12

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 3202
ChEMBL ID
CHEMBL1104
DrugBank ID
DB01010
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06796, POU domain, class 2, transcription factor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Km = 26400 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Edrophonium )
Drug Name Edrophonium
Indication
Myasthenia gravis
Approved
Target(s)
Acetylcholinesterase (AChE)
Inhibitor