Details
Stereochemistry | ACHIRAL |
Molecular Formula | 2C9H8N3O3.Ca |
Molecular Weight | 452.434 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 2 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].CC(=NNC(=O)C1=CC=NC=C1)C([O-])=O.CC(=NNC(=O)C2=CC=NC=C2)C([O-])=O
InChI
InChIKey=MNXSNBWJLVPGGM-HHWAHKQESA-L
InChI=1S/2C9H9N3O3.Ca/c2*1-6(9(14)15)11-12-8(13)7-2-4-10-5-3-7;/h2*2-5H,1H3,(H,12,13)(H,14,15);/q;;+2/p-2/b2*11-6+;
Molecular Formula | Ca |
Molecular Weight | 40.078 |
Charge | 2 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C9H8N3O3 |
Molecular Weight | 206.1781 |
Charge | -1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:01:52 GMT 2023
by
admin
on
Fri Dec 15 16:01:52 GMT 2023
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Record UNII |
M4Q640072Z
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Record Status |
Validated (UNII)
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Record Version |
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-
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100000138192
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71468
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M4Q640072Z
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CHEMBL2111041
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3428-05-5
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SUB77586
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |