Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C10H11N4O5S.Na |
Molecular Weight | 322.273 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[H][C@@]12CC(=O)N1[C@@H](C([O-])=O)[C@](C)(CN3C=CN=N3)S2(=O)=O
InChI
InChIKey=RFMIKMMOLPNEDG-QVUDESDKSA-M
InChI=1S/C10H12N4O5S.Na/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19;/h2-3,7-8H,4-5H2,1H3,(H,16,17);/q;+1/p-1/t7-,8+,10+;/m1./s1
Molecular Formula | C10H11N4O5S |
Molecular Weight | 299.283 |
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 16:34:20 UTC 2023
by
admin
on
Fri Dec 15 16:34:20 UTC 2023
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Record UNII |
UXA545ABTT
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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 16:34:20 UTC 2023 , Edited by admin on Fri Dec 15 16:34:20 UTC 2023
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SUB120166
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DBSALT001475
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EE-3
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89785-84-2
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221167
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UXA545ABTT
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C1242
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85192
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UXA545ABTT
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SUB04682MIG
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100000092105
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DTXSID8046030
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23663400
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CHEMBL404
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m10490
Created by
admin on Fri Dec 15 16:34:20 UTC 2023 , Edited by admin on Fri Dec 15 16:34:20 UTC 2023
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PRIMARY | Merck Index |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |