Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C10H12N4O3.C7H5O3.Na |
| Molecular Weight | 396.3298 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].OC1=CC=CC=C1C([O-])=O.CN2CC(O)C3=C\C(=N\NC(N)=O)C(=O)C=C23
InChI
InChIKey=CELKBRMLNUNCIP-AXAVVADUSA-M
InChI=1S/C10H12N4O3.C7H6O3.Na/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14;8-6-4-2-1-3-5(6)7(9)10;/h2-3,9,16H,4H2,1H3,(H3,11,13,17);1-4,8H,(H,9,10);/q;;+1/p-1/b12-6-;;
| Molecular Formula | C10H12N4O3 |
| Molecular Weight | 236.2273 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 1 |
| Optical Activity | ( + / - ) |
| Molecular Formula | Na |
| Molecular Weight | 22.98976928 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C7H5O3 |
| Molecular Weight | 137.1128 |
| 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
Mon Mar 31 21:12:48 GMT 2025
by
admin
on
Mon Mar 31 21:12:48 GMT 2025
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| Record UNII |
3H4OD401LF
|
| Record Status |
Validated (UNII)
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| Record Version |
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| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C78311
Created by
admin on Mon Mar 31 21:12:48 GMT 2025 , Edited by admin on Mon Mar 31 21:12:48 GMT 2025
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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m3059
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3H4OD401LF
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13051-01-9
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SUB06119MIG
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235-927-1
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C76883
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DTXSID80873395
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23688294
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100000081317
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263
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