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+;
Approval Year
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| Code System | Code | Type | Description | ||
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100000138192
Created by
admin on Fri Dec 15 16:01:52 GMT 2023 , Edited by admin on Fri Dec 15 16:01:52 GMT 2023
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71468
Created by
admin on Fri Dec 15 16:01:52 GMT 2023 , Edited by admin on Fri Dec 15 16:01:52 GMT 2023
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M4Q640072Z
Created by
admin on Fri Dec 15 16:01:52 GMT 2023 , Edited by admin on Fri Dec 15 16:01:52 GMT 2023
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CHEMBL2111041
Created by
admin on Fri Dec 15 16:01:52 GMT 2023 , Edited by admin on Fri Dec 15 16:01:52 GMT 2023
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3428-05-5
Created by
admin on Fri Dec 15 16:01:52 GMT 2023 , Edited by admin on Fri Dec 15 16:01:52 GMT 2023
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SUB77586
Created by
admin on Fri Dec 15 16:01:52 GMT 2023 , Edited by admin on Fri Dec 15 16:01:52 GMT 2023
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PARENT (SALT/SOLVATE)
SUBSTANCE RECORD
