Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C17H22NOS2.Br.H2O |
| Molecular Weight | 418.412 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[Br-].COC1CC(C[N+](C)(C)C1)=C(C2=CC=CS2)C3=CC=CS3
InChI
InChIKey=LESIBJVNNLJUOA-UHFFFAOYSA-M
InChI=1S/C17H22NOS2.BrH.H2O/c1-18(2)11-13(10-14(12-18)19-3)17(15-6-4-8-20-15)16-7-5-9-21-16;;/h4-9,14H,10-12H2,1-3H3;1H;1H2/q+1;;/p-1
| Molecular Formula | BrH |
| Molecular Weight | 80.912 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | HO |
| Molecular Weight | 17.0073 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C17H22NOS2 |
| Molecular Weight | 320.493 |
| Charge | 1 |
| Count |
|
| Stereochemistry | MIXED |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL216 |
34.0 nM [Ki] | ||
Target ID: CHEMBL211 |
7.7 nM [Ki] | ||
Target ID: CHEMBL245 |
31.0 nM [Ki] | ||
Target ID: CHEMBL1821 |
18.0 nM [Ki] | ||
Target ID: CHEMBL2035 |
11.0 nM [Ki] |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Primary | Sesden Approved UseVisceral spasms |
PubMed
| Title | Date | PubMed |
|---|---|---|
| Eosinophilic pustular folliculitis induced by allopurinol and timepidium bromide. | 2002 |
|
| Multiple granulomatous inflammation in the minor salivary glands: a proposed new entity, allergic granulomatous sialadenitis. | 2004 Nov |
|
| Development of a list of potentially inappropriate drugs for the korean elderly using the delphi method. | 2010 Dec |
Patents
Sample Use Guides
Timepidium inhibited dose-dependently
the contraction of isolated guinea pig gallbladder evoked by stimulation at 5 Hz. The mean dose producing a 50 % decrease
in the electrically induced contraction (ID50 value) was 2.4 x 10(-8) g/ml. Timepidium (10(-6) g/ml)
also inhibited, for the most part, the contraction induced by stimulation at 30 Hz.
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 07:15:24 UTC 2023
by
admin
on
Sat Dec 16 07:15:24 UTC 2023
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| Record UNII |
5X58HSG8LX
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| Record Status |
Validated (UNII)
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| Record Version |
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11954250
Created by
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5X58HSG8LX
Created by
admin on Sat Dec 16 07:15:24 UTC 2023 , Edited by admin on Sat Dec 16 07:15:24 UTC 2023
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116383-38-1
Created by
admin on Sat Dec 16 07:15:24 UTC 2023 , Edited by admin on Sat Dec 16 07:15:24 UTC 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
