BETHANECHOL

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Synonyms
Status
Molecule Category Free-form
ATC N07AB02
UNII 004F72P8F4
EPA CompTox DTXSID5048398

Structure

InChI Key NZUPCNDJBJXXRF-UHFFFAOYSA-O
Smiles CC(C[N+](C)(C)C)OC(N)=O
InChI
InChI=1S/C7H16N2O2/c1-6(11-7(8)10)5-9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H17N2O2+
Molecular Weight 161.22
AlogP 0.18
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 52.32
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 11.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
426.58 - - 97 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
426.58-645.65 - - - -
Homo sapiens
- - - 97 -

Cross References

Resources Reference
ChEBI 3084
ChEMBL CHEMBL1482
DrugBank DB01019
DrugCentral 358
FDA SRS 004F72P8F4
Human Metabolome Database HMDB0015154
Guide to Pharmacology 297
KEGG C06850
PharmGKB PA448613
PubChem 2370
SureChEMBL SCHEMBL37096
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