Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C16H18N3O5S.Na |
Molecular Weight | 387.386 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=C(O)C=C3)C([O-])=O
InChI
InChIKey=BYHDFCISJXIVBV-YWUHCJSESA-M
InChI=1S/C16H19N3O5S.Na/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);/q;+1/p-1/t9-,10-,11+,14-;/m1./s1
Molecular Formula | C16H18N3O5S |
Molecular Weight | 364.396 |
Charge | -1 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
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 15:33:19 UTC 2023
by
admin
on
Fri Dec 15 15:33:19 UTC 2023
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Record UNII |
544Y3D6MYH
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C1500
Created by
admin on Fri Dec 15 15:33:20 UTC 2023 , Edited by admin on Fri Dec 15 15:33:20 UTC 2023
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Code System | Code | Type | Description | ||
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m1844
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admin on Fri Dec 15 15:33:20 UTC 2023 , Edited by admin on Fri Dec 15 15:33:20 UTC 2023
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PRIMARY | Merck Index | ||
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CHEMBL1082
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KK-95
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DTXSID80956137
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34642-77-8
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PRIMARY | |||
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100000090113
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252-124-1
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admin on Fri Dec 15 15:33:20 UTC 2023 , Edited by admin on Fri Dec 15 15:33:20 UTC 2023
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PRIMARY | |||
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544Y3D6MYH
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admin on Fri Dec 15 15:33:20 UTC 2023 , Edited by admin on Fri Dec 15 15:33:20 UTC 2023
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PRIMARY | |||
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SUB00503MIG
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23663126
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admin on Fri Dec 15 15:33:20 UTC 2023 , Edited by admin on Fri Dec 15 15:33:20 UTC 2023
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C72700
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PRIMARY | |||
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51255
Created by
admin on Fri Dec 15 15:33:20 UTC 2023 , Edited by admin on Fri Dec 15 15:33:20 UTC 2023
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PRIMARY | |||
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DBSALT000868
Created by
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544Y3D6MYH
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267360
Created by
admin on Fri Dec 15 15:33:20 UTC 2023 , Edited by admin on Fri Dec 15 15:33:20 UTC 2023
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PRIMARY | RxNorm |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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Related Record | Type | Details | ||
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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||
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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