Details
Stereochemistry | ACHIRAL |
Molecular Formula | C12H12BrN4O2S.Na.H2O |
Molecular Weight | 397.223 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[Na+].CC1=NC([N-]S(=O)(=O)C2=CC=C(N)C=C2)=NC(C)=C1Br
InChI
InChIKey=RFIVRKPJMTYCIP-UHFFFAOYSA-N
InChI=1S/C12H12BrN4O2S.Na.H2O/c1-7-11(13)8(2)16-12(15-7)17-20(18,19)10-5-3-9(14)4-6-10;;/h3-6H,14H2,1-2H3;;1H2/q-1;+1;
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 |
Molecular Formula | HO |
Molecular Weight | 17.0073 |
Charge | -1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C12H13BrN4O2S |
Molecular Weight | 357.226 |
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 17:02:12 UTC 2023
by
admin
on
Fri Dec 15 17:02:12 UTC 2023
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Record UNII |
Y200FZX73L
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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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CFR |
21 CFR 556.620
Created by
admin on Fri Dec 15 17:02:12 UTC 2023 , Edited by admin on Fri Dec 15 17:02:12 UTC 2023
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NCI_THESAURUS |
C29739
Created by
admin on Fri Dec 15 17:02:12 UTC 2023 , Edited by admin on Fri Dec 15 17:02:12 UTC 2023
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Code System | Code | Type | Description | ||
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C84591
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PRIMARY | |||
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m10300
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admin on Fri Dec 15 17:02:12 UTC 2023 , Edited by admin on Fri Dec 15 17:02:12 UTC 2023
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PRIMARY | Merck Index | ||
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21 CFR 520.2170
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admin on Fri Dec 15 17:02:12 UTC 2023 , Edited by admin on Fri Dec 15 17:02:12 UTC 2023
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PRIMARY | |||
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DBSALT001703
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CHEMBL2111078
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DTXSID30209887
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Y200FZX73L
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6101-20-8
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71586868
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admin on Fri Dec 15 17:02:12 UTC 2023 , Edited by admin on Fri Dec 15 17:02:12 UTC 2023
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Related Record | Type | Details | ||
---|---|---|---|---|
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |