Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C17H19N2O6S.Na |
| Molecular Weight | 402.397 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C3=C(OC)C=CC=C3OC)C([O-])=O
InChI
InChIKey=MGFZNWDWOKASQZ-UMLIZJHQSA-M
InChI=1S/C17H20N2O6S.Na/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4;/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23);/q;+1/p-1/t11-,12+,15-;/m1./s1
| Molecular Formula | C17H19N2O6S |
| Molecular Weight | 379.408 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| 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
Fri Dec 15 18:56:54 UTC 2023
by
admin
on
Fri Dec 15 18:56:54 UTC 2023
|
| Record UNII |
NBQ410S76Y
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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52065
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CHEMBL575
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SUB03264MIG
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DTXSID30872398
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NBQ410S76Y
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132-92-3
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m7311
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admin on Fri Dec 15 18:56:54 UTC 2023 , Edited by admin on Fri Dec 15 18:56:54 UTC 2023
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PRIMARY | Merck Index | ||
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100000089081
Created by
admin on Fri Dec 15 18:56:54 UTC 2023 , Edited by admin on Fri Dec 15 18:56:54 UTC 2023
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205-083-9
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23667627
Created by
admin on Fri Dec 15 18:56:54 UTC 2023 , Edited by admin on Fri Dec 15 18:56:54 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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SOLVATE->ANHYDROUS |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |