METHYLATROPINE NITRATE

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Synonyms
Status
Molecule Category Salt-form
UNII Q48D9J47K2
EPA CompTox DTXSID0045543

Structure

InChI Key NEDVJZNVOSNSHF-KUMOIWDRSA-N
Smiles C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2.O=[N+]([O-])[O-]
InChI
InChI=1S/C18H26NO3.NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13;2-1(3)4/h3-7,14-17,20H,8-12H2,1-2H3;/q+1;-1/t14-,15+,16+,17?;

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H26N2O6
Molecular Weight 366.41
AlogP 2.08
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 46.53
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 22.0

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
- - - 1.8-2.4 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Drosophila melanogaster
- - - 1.8-2.4 -

Cross References

Resources Reference
ChEMBL CHEMBL516476
FDA SRS Q48D9J47K2
SureChEMBL SCHEMBL56394
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