BENZTROPINE MESYLATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1954)
Entry Type: Small molecule
Molecule Category: Salt
UNII: WMJ8TL7510
Parent Compound: BENZTROPINE

Structure
InChI Key CPFJLLXFNPCTDW-BWSPSPBFSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 12.47
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Peripheral Nervous System Diseases 2 D010523 ClinicalTrials
Back Pain 2 D001416 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
23.89
Nervous system disorders
17.8
General disorders and administration site conditions
16.97
Injury, poisoning and procedural complications
12.19
Gastrointestinal disorders
4.54
Eye disorders
3.94
Cardiac disorders
2.75
Renal and urinary disorders
2.75
Investigations
2.63
Musculoskeletal and connective tissue disorders
2.63
Respiratory, thoracic and mediastinal disorders
2.03

Cross References

Resources Reference
ChEBI 3049
ChEMBL CHEMBL1200383
EPA CompTox DTXSID0045096
FDA SRS WMJ8TL7510
KEGG D07511
SureChEMBL SCHEMBL41808
ZINC ZINC00968360
CONTENTS