Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C12H11N3.C4H2O4 |
| Molecular Weight | 311.2921 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | -2 |
SHOW SMILES / InChI
SMILES
[O-]C(=O)\C=C\C([O-])=O.CC1=C(CC#N)N=C(N1)C2=CC=CC=C2
InChI
InChIKey=BACLFYJGAMBEIX-WLHGVMLRSA-L
InChI=1S/C12H11N3.C4H4O4/c1-9-11(7-8-13)15-12(14-9)10-5-3-2-4-6-10;5-3(6)1-2-4(7)8/h2-6H,7H2,1H3,(H,14,15);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | C12H11N3 |
| Molecular Weight | 197.2358 |
| 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 16:30:53 UTC 2023
by
admin
on
Fri Dec 15 16:30:53 UTC 2023
|
| Record UNII |
5QH19BF6YG
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Official Name | English | ||
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Code | English | ||
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Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C29707
Created by
admin on Fri Dec 15 16:30:53 UTC 2023 , Edited by admin on Fri Dec 15 16:30:53 UTC 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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5QH19BF6YG
Created by
admin on Fri Dec 15 16:30:53 UTC 2023 , Edited by admin on Fri Dec 15 16:30:53 UTC 2023
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PRIMARY | |||
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83153-38-2
Created by
admin on Fri Dec 15 16:30:53 UTC 2023 , Edited by admin on Fri Dec 15 16:30:53 UTC 2023
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PRIMARY | |||
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CHEMBL2106836
Created by
admin on Fri Dec 15 16:30:53 UTC 2023 , Edited by admin on Fri Dec 15 16:30:53 UTC 2023
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PRIMARY | |||
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U-24
Created by
admin on Fri Dec 15 16:30:53 UTC 2023 , Edited by admin on Fri Dec 15 16:30:53 UTC 2023
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PRIMARY | |||
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6440686
Created by
admin on Fri Dec 15 16:30:53 UTC 2023 , Edited by admin on Fri Dec 15 16:30:53 UTC 2023
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PRIMARY | |||
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C66073
Created by
admin on Fri Dec 15 16:30:53 UTC 2023 , Edited by admin on Fri Dec 15 16:30:53 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |