DIPHEMANIL METHYLSULFATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII W2ZG23MGYI
EPA CompTox DTXSID9022948

Structure

InChI Key BREMLQBSKCSNNH-UHFFFAOYSA-M
Smiles COS(=O)(=O)[O-].C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1
InChI
InChI=1S/C20H24N.CH4O4S/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-5-6(2,3)4/h3-12H,13-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H27NO4S
Molecular Weight 389.52
AlogP 4.36
Number of Rotational Bond 2.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
Muscarinic acetylcholine receptor M1 antagonist ANTAGONIST ISBN PubMed

Target Conservation

Protein: Muscarinic acetylcholine receptor M1
Description: Muscarinic acetylcholine receptor M1
Organism : Homo sapiens
P11229 ENSG00000168539
Protein: Muscarinic acetylcholine receptor M3
Description: Muscarinic acetylcholine receptor M3
Organism : Homo sapiens
P20309 ENSG00000133019

Cross References

Resources Reference
ChEBI 59782
ChEMBL CHEMBL1200880
DrugBank DB00729
FDA SRS W2ZG23MGYI
PharmGKB PA164748388
PubChem 6126
SureChEMBL SCHEMBL250121
ZINC ZINC01482039
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