TROSPIUM CHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 1E6682427E
EPA CompTox DTXSID7023724
Parent Compound: TROSPIUM

Structure

InChI Key RVCSYOQWLPPAOA-QKYUOBHYSA-M
Smiles O=C(O[C@H]1C[C@H]2CC[C@@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1.[Cl-]
InChI
InChI=1S/C25H30NO3.ClH/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26;/h1-6,9-12,21-23,28H,7-8,13-18H2;1H/q+1;/p-1/t21-,22+,23+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H30ClNO3
Molecular Weight 427.97
AlogP 3.77
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 2.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Muscarinic acetylcholine receptor M2 antagonist ANTAGONIST PubMed PubMed
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
- - - 1.023-6.026 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 1.023-6.026 -

Target Conservation

Protein: Muscarinic acetylcholine receptor M2
Description: Muscarinic acetylcholine receptor M2
Organism : Homo sapiens
P08172 ENSG00000181072
Protein: Muscarinic acetylcholine receptor M3
Description: Muscarinic acetylcholine receptor M3
Organism : Homo sapiens
P20309 ENSG00000133019

Cross References

Resources Reference
ChEBI 32270
ChEMBL CHEMBL3084748
FDA SRS 1E6682427E
SureChEMBL SCHEMBL25785
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