Details
Stereochemistry | RACEMIC |
Molecular Formula | C11H18N2O3S.ClH |
Molecular Weight | 294.798 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CN[C@@H](C)[C@H](O)C1=CC=C(NS(C)(=O)=O)C=C1
InChI
InChIKey=OMGYZLAJZAMSKO-RWHJDYSMSA-N
InChI=1S/C11H18N2O3S.ClH/c1-8(12-2)11(14)9-4-6-10(7-5-9)13-17(3,15)16;/h4-8,11-14H,1-3H3;1H/t8-,11-;/m0./s1
Molecular Formula | C11H18N2O3S |
Molecular Weight | 258.337 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | ClH |
Molecular Weight | 36.461 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Originator
Sources: https://www.ncbi.nlm.nih.gov/pubmed/6006227
Curator's Comment: reference retrieved from https://link.springer.com/book/10.1007/978-1-4757-2085-3#about
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:27:54 GMT 2023
by
admin
on
Fri Dec 15 18:27:54 GMT 2023
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Record UNII |
7XTP5J0Y5D
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Record Status |
Validated (UNII)
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Record Version |
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-
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DTXSID70914968
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C175128
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admin on Fri Dec 15 18:27:55 GMT 2023 , Edited by admin on Fri Dec 15 18:27:55 GMT 2023
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CHEMBL2110946
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admin on Fri Dec 15 18:27:55 GMT 2023 , Edited by admin on Fri Dec 15 18:27:55 GMT 2023
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955-47-5
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admin on Fri Dec 15 18:27:55 GMT 2023 , Edited by admin on Fri Dec 15 18:27:55 GMT 2023
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72710679
Created by
admin on Fri Dec 15 18:27:55 GMT 2023 , Edited by admin on Fri Dec 15 18:27:55 GMT 2023
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7XTP5J0Y5D
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955-48-6
Created by
admin on Fri Dec 15 18:27:55 GMT 2023 , Edited by admin on Fri Dec 15 18:27:55 GMT 2023
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NON-SPECIFIC STEREOCHEMISTRY |
Related Record | Type | Details | ||
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ACTIVE MOIETY |