Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C13H21N3S2.C4H6O6 |
| Molecular Weight | 433.543 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CCCCSC1=NSN=C1[C@@H]2CN3CCC2CC3
InChI
InChIKey=KLWOCMMRVISIQR-VUAFVNRWSA-N
InChI=1S/C13H21N3S2.C4H6O6/c1-2-3-8-17-13-12(14-18-15-13)11-9-16-6-4-10(11)5-7-16;5-1(3(7)8)2(6)4(9)10/h10-11H,2-9H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-;1-,2-/m11/s1
| Molecular Formula | C13H21N3S2 |
| Molecular Weight | 283.456 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H6O6 |
| Molecular Weight | 150.0868 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:53:21 UTC 2023
by
admin
on
Fri Dec 15 15:53:21 UTC 2023
|
| Record UNII |
099J5LTJ25
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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099J5LTJ25
Created by
admin on Fri Dec 15 15:53:21 UTC 2023 , Edited by admin on Fri Dec 15 15:53:21 UTC 2023
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DTXSID20161763
Created by
admin on Fri Dec 15 15:53:21 UTC 2023 , Edited by admin on Fri Dec 15 15:53:21 UTC 2023
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9889092
Created by
admin on Fri Dec 15 15:53:21 UTC 2023 , Edited by admin on Fri Dec 15 15:53:21 UTC 2023
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141575-51-1
Created by
admin on Fri Dec 15 15:53:21 UTC 2023 , Edited by admin on Fri Dec 15 15:53:21 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 |
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ACTIVE MOIETY |
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