Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C12H13N.C6H6O3S |
| Molecular Weight | 329.413 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(=O)(=O)C1=CC=CC=C1.C#CCN[C@@H]2CCC3=CC=CC=C23
InChI
InChIKey=RJANEWBAWNDAHO-UTONKHPSSA-N
InChI=1S/C12H13N.C6H6O3S/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12;7-10(8,9)6-4-2-1-3-5-6/h1,3-6,12-13H,7-9H2;1-5H,(H,7,8,9)/t12-;/m1./s1
| Molecular Formula | C12H13N |
| Molecular Weight | 171.2383 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + ) |
| Molecular Formula | C6H6O3S |
| Molecular Weight | 158.175 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:20:57 UTC 2023
by
admin
on
Sat Dec 16 18:20:57 UTC 2023
|
| Record UNII |
D585ZZT7KD
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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100000172090
Created by
admin on Sat Dec 16 18:20:57 UTC 2023 , Edited by admin on Sat Dec 16 18:20:57 UTC 2023
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1201908-33-9
Created by
admin on Sat Dec 16 18:20:57 UTC 2023 , Edited by admin on Sat Dec 16 18:20:57 UTC 2023
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44611760
Created by
admin on Sat Dec 16 18:20:57 UTC 2023 , Edited by admin on Sat Dec 16 18:20:57 UTC 2023
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PRIMARY | |||
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D585ZZT7KD
Created by
admin on Sat Dec 16 18:20:57 UTC 2023 , Edited by admin on Sat Dec 16 18:20:57 UTC 2023
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PRIMARY |
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|---|---|---|---|---|
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
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