Details
Stereochemistry | ACHIRAL |
Molecular Formula | C10H12N2O8.C4H10N2.Ca.2H |
Molecular Weight | 416.44 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H+].[H+].[Ca++].C1CNCCN1.[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O
InChI
InChIKey=ROJMAHHOFDIQTI-UHFFFAOYSA-L
InChI=1S/C10H16N2O8.C4H10N2.Ca/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;1-2-6-4-3-5-1;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);5-6H,1-4H2;/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 | H |
Molecular Weight | 1.0079 |
Charge | 1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C10H12N2O8 |
Molecular Weight | 288.2109 |
Charge | -4 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C4H10N2 |
Molecular Weight | 86.1356 |
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 15:04:13 UTC 2023
by
admin
on
Fri Dec 15 15:04:13 UTC 2023
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Record UNII |
L4QEN8344Z
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Record Status |
Validated (UNII)
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Record Version |
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-
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SUB09869MIG
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C175844
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CHEMBL2106963
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m8846
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L4QEN8344Z
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122-50-9
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12002-30-1
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100000081965
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31213
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580
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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SOLVATE->ANHYDROUS | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY | |||
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ACTIVE MOIETY |