Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | 2C9H13N2O3.Ca |
| Molecular Weight | 434.5 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 0 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].CCC1(C(C)C)C(=O)NC(=O)[N-]C1=O.CCC2(C(C)C)C(=O)NC(=O)[N-]C2=O
InChI
InChIKey=WZPJERQWVCHCKK-UHFFFAOYSA-L
InChI=1S/2C9H14N2O3.Ca/c2*1-4-9(5(2)3)6(12)10-8(14)11-7(9)13;/h2*5H,4H2,1-3H3,(H2,10,11,12,13,14);/q;;+2/p-2
| 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 | C9H14N2O3 |
| Molecular Weight | 198.2191 |
| 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 14:59:00 UTC 2023
by
admin
on
Fri Dec 15 14:59:00 UTC 2023
|
| Record UNII |
S5L624QX2J
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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120727
Created by
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545-74-4
Created by
admin on Fri Dec 15 14:59:00 UTC 2023 , Edited by admin on Fri Dec 15 14:59:00 UTC 2023
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S5L624QX2J
Created by
admin on Fri Dec 15 14:59:00 UTC 2023 , Edited by admin on Fri Dec 15 14:59:00 UTC 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |