Details
Stereochemistry | MIXED |
Molecular Formula | C18H22NO3S.Br |
Molecular Weight | 412.341 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 0 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Br-].C[N+]1(C)CCC(C1)OC(=O)C(O)(C2=CC=CS2)C3=CC=CC=C3
InChI
InChIKey=SHPIBZXFYWMQBR-UHFFFAOYSA-M
InChI=1S/C18H22NO3S.BrH/c1-19(2)11-10-15(13-19)22-17(20)18(21,16-9-6-12-23-16)14-7-4-3-5-8-14;/h3-9,12,15,21H,10-11,13H2,1-2H3;1H/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 | C18H21NO3S |
Molecular Weight | 331.429 |
Charge | 0 |
Count |
|
Stereochemistry | MIXED |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/4889766
Sources: https://www.ncbi.nlm.nih.gov/pubmed/4889766
Heteronium is an anticholinergic agent. As a bromide salt, it was investigated in the clinic for the treatment of peptic ulcer and other gastrointestinal disorders.
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 17:19:09 GMT 2023
by
admin
on
Fri Dec 15 17:19:09 GMT 2023
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Record UNII |
B41610WX8O
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Record Status |
Validated (UNII)
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C174630
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CHEMBL2110853
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13964
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m230
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Related Record | Type | Details | ||
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ACTIVE MOIETY |