Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C10H11N4O5S.Na |
| Molecular Weight | 322.273 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CN1C(CC2=C\C(=N\NC(N)=O)C(=O)C=C12)S([O-])(=O)=O
InChI
InChIKey=HLFCZZKCHVSOAP-DAMYXMBDSA-M
InChI=1S/C10H12N4O5S.Na/c1-14-7-4-8(15)6(12-13-10(11)16)2-5(7)3-9(14)20(17,18)19;/h2,4,9H,3H2,1H3,(H3,11,13,16)(H,17,18,19);/q;+1/p-1/b12-6-;
| 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 | C10H11N4O5S |
| Molecular Weight | 299.283 |
| Charge | -1 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 1 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:10:30 UTC 2023
by
admin
on
Fri Dec 15 16:10:30 UTC 2023
|
| Record UNII |
J0I08M946E
|
| 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 |
C78311
Created by
admin on Fri Dec 15 16:10:30 UTC 2023 , Edited by admin on Fri Dec 15 16:10:30 UTC 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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20209
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100000081337
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846
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SUB06120MIG
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257-217-0
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m3060
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PRIMARY | Merck Index | ||
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J0I08M946E
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C83589
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DTXSID9022732
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51460-26-5
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CHEMBL1697827
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SUB13237MIG
Created by
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| Related Record | Type | Details | ||
|---|---|---|---|---|
|
SOLVATE->ANHYDROUS | |||
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|
PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
