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Details

Stereochemistry ACHIRAL
Molecular Formula C21H28NO3.Br
Molecular Weight 422.356
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYLBENACTYZIUM BROMIDE

SMILES

[Br-].CC[N+](C)(CC)CCOC(=O)C(O)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=DKMVJQCQTCLYIF-UHFFFAOYSA-M
InChI=1S/C21H28NO3.BrH/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,24H,4-5,16-17H2,1-3H3;1H/q+1;/p-1

HIDE SMILES / InChI

Description

Methylbenactyzium bromide has been used as a spasmolytic for the treatment of gastrointestinal ulcer and gastrointestinal spasms.

CNS Activity

CNS Active
3,913

Approval Year

Unknown
139,594

Targets

Primary TargetPharmacologyConditionPotency
Muscarinic acetylcholine receptor M4
86
Antagonist
2,778
 13.2 nM [Ki]
Muscarinic acetylcholine receptor M2
121
Antagonist
2,778
 1.54 nM [Ki]
Muscarinic acetylcholine receptor M3
159
Antagonist
2,778
 4.25 nM [Ki]
Muscarinic acetylcholine receptor M1
169
Antagonist
2,778
 1.59 nM [Ki]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Gastrointestinal spasm
2
 Primary
Approved
8,429
Finalin

PubMed

Patents

EP1364659B1
2
US20040086536
2
US20070116729
21
US5985843
2
US7288558
2

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Oral
In Vitro Use Guide
Unknown
NIH
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