Details
Stereochemistry | ACHIRAL |
Molecular Formula | C21H21ClN4OS.CH4O3S.3H2O |
Molecular Weight | 563.087 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.CS(O)(=O)=O.ClC1=CC2=C(CC(=O)N2)C=C1CCN3CCN(CC3)C4=NSC5=C4C=CC=C5
InChI
InChIKey=WLQZEFFFIUHSJB-UHFFFAOYSA-N
InChI=1S/C21H21ClN4OS.CH4O3S.3H2O/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21;1-5(2,3)4;;;/h1-4,11,13H,5-10,12H2,(H,23,27);1H3,(H,2,3,4);3*1H2
Molecular Formula | C21H21ClN4OS |
Molecular Weight | 412.936 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | CH4O3S |
Molecular Weight | 96.106 |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:36:19 UTC 2023
by
admin
on
Fri Dec 15 15:36:19 UTC 2023
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Record UNII |
3X6SAX83JZ
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Record Status |
Validated (UNII)
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Record Version |
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-
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53757
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353116
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CHEMBL708
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100000135817
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3X6SAX83JZ
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LL-73
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760351
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3X6SAX83JZ
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199191-69-0
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SUB72091
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C48032
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656685
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DBSALT000811
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Related Record | Type | Details | ||
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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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Related Record | Type | Details | ||
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ACTIVE MOIETY |