BENZTROPINE MESYLATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII WMJ8TL7510
EPA CompTox DTXSID0045096
Parent Compound: BENZTROPINE

Structure

InChI Key CPFJLLXFNPCTDW-BWSPSPBFSA-N
Smiles CN1[C@@H]2CC[C@H]1C[C@@H](OC(c1ccccc1)c1ccccc1)C2.CS(=O)(=O)O
InChI
InChI=1S/C21H25NO.CH4O3S/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-5(2,3)4/h2-11,18-21H,12-15H2,1H3;1H3,(H,2,3,4)/t18-,19+,20+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H29NO4S
Molecular Weight 403.54
AlogP 4.42
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 12.47
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
Muscarinic acetylcholine receptor M1 antagonist ANTAGONIST ISBN FDA
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
- - - - 19-60

Target Conservation

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

Cross References

Resources Reference
CAS NUMBER 132-17-2
ChEBI 3049
ChEMBL CHEMBL1200383
FDA SRS WMJ8TL7510
KEGG D07511
SureChEMBL SCHEMBL41808
ZINC ZINC00968360
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