Details
Stereochemistry | RACEMIC |
Molecular Formula | C11H17NO.C7H5NO3S |
Molecular Weight | 362.443 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O=C1NS(=O)(=O)C2=C1C=CC=C2.C[C@@H]([C@H](O)C3=CC=CC=C3)N(C)C
InChI
InChIKey=OJKNEDBDODVMFW-ROLPUNSJSA-N
InChI=1S/C11H17NO.C7H5NO3S/c1-9(12(2)3)11(13)10-7-5-4-6-8-10;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h4-9,11,13H,1-3H3;1-4H,(H,8,9)/t9-,11-;/m0./s1
Molecular Formula | C7H5NO3S |
Molecular Weight | 183.185 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C11H17NO |
Molecular Weight | 179.2588 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 05:22:44 UTC 2023
by
admin
on
Sat Dec 16 05:22:44 UTC 2023
|
Record UNII |
HOE706TKMV
|
Record Status |
Validated (UNII)
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Record Version |
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-
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CHEMBL1589978
Created by
admin on Sat Dec 16 05:22:44 UTC 2023 , Edited by admin on Sat Dec 16 05:22:44 UTC 2023
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PRIMARY | |||
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50923279
Created by
admin on Sat Dec 16 05:22:44 UTC 2023 , Edited by admin on Sat Dec 16 05:22:44 UTC 2023
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DTXSID60225994
Created by
admin on Sat Dec 16 05:22:44 UTC 2023 , Edited by admin on Sat Dec 16 05:22:44 UTC 2023
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HOE706TKMV
Created by
admin on Sat Dec 16 05:22:44 UTC 2023 , Edited by admin on Sat Dec 16 05:22:44 UTC 2023
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75011-63-1
Created by
admin on Sat Dec 16 05:22:44 UTC 2023 , Edited by admin on Sat Dec 16 05:22:44 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |