Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C7H8N4O2.C7H4O3.Ca |
| Molecular Weight | 356.347 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].[O-]C(=O)C1=C([O-])C=CC=C1.CN2C3=C(NC=N3)C(=O)N(C)C2=O
InChI
InChIKey=HBGYWKVYHHULPL-UHFFFAOYSA-L
InChI=1S/C7H8N4O2.C7H6O3.Ca/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;8-6-4-2-1-3-5(6)7(9)10;/h3H,1-2H3,(H,8,9);1-4,8H,(H,9,10);/q;;+2/p-2
| Molecular Formula | C7H4O3 |
| Molecular Weight | 136.1049 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| 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 | C7H8N4O2 |
| Molecular Weight | 180.164 |
| 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 15:15:25 UTC 2023
by
admin
on
Fri Dec 15 15:15:25 UTC 2023
|
| Record UNII |
VWZ980637N
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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129-98-6
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9841621
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100000076987
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admin on Fri Dec 15 15:15:25 UTC 2023 , Edited by admin on Fri Dec 15 15:15:25 UTC 2023
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SUB15518MIG
Created by
admin on Fri Dec 15 15:15:25 UTC 2023 , Edited by admin on Fri Dec 15 15:15:25 UTC 2023
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VWZ980637N
Created by
admin on Fri Dec 15 15:15:25 UTC 2023 , Edited by admin on Fri Dec 15 15:15:25 UTC 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE | |||
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ACTIVE MOIETY |