METHSCOPOLAMINE

Search structure
Synonyms:
Status: Approved (1953)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: VDR09VTQ8U

Structure
InChI Key LZCOQTDXKCNBEE-IKIFYQGPSA-N
Smile C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21
InChI
InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H24NO4+
Molecular Weight 318.39
AlogP 1.06
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 59.06
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

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
0-0 4-501 1-1 0-11 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135361
ChEMBL CHEMBL376897
DrugBank DB11315
DrugCentral 1757
EPA CompTox DTXSID0046931
FDA SRS VDR09VTQ8U
Human Metabolome Database HMDB0014605
PDB 3C0
SureChEMBL SCHEMBL65398
ZINC ZINC000100047524
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