Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C16H17N3O4S.ClH.H2O |
Molecular Weight | 401.865 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.Cl.[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(O)=O
InChI
InChIKey=YHJDZIQOCSDIQU-OEDJVVDHSA-N
InChI=1S/C16H17N3O4S.ClH.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H;1H2/t10-,11-,15-;;/m1../s1
Molecular Formula | ClH |
Molecular Weight | 36.461 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | H2O |
Molecular Weight | 18.0153 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C16H17N3O4S |
Molecular Weight | 347.389 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:13:41 UTC 2023
by
admin
on
Fri Dec 15 15:13:41 UTC 2023
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Record UNII |
6VJE5G3D98
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Record Status |
Validated (UNII)
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Record Version |
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-
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NCI_THESAURUS |
C357
Created by
admin on Fri Dec 15 15:13:41 UTC 2023 , Edited by admin on Fri Dec 15 15:13:41 UTC 2023
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Code System | Code | Type | Description | ||
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m3244
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admin on Fri Dec 15 15:13:41 UTC 2023 , Edited by admin on Fri Dec 15 15:13:41 UTC 2023
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PRIMARY | Merck Index | ||
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DBSALT001473
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SUB01097MIG
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6VJE5G3D98
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DTXSID10909777
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62979
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C47969
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281942
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admin on Fri Dec 15 15:13:41 UTC 2023 , Edited by admin on Fri Dec 15 15:13:41 UTC 2023
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PRIMARY | RxNorm | ||
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CHEMBL1727
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Z-24
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100000085039
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105879-42-3
Created by
admin on Fri Dec 15 15:13:41 UTC 2023 , Edited by admin on Fri Dec 15 15:13:41 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |