Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C5H7NO4.Ca.2H.4H2O |
| Molecular Weight | 404.382 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H+].[H+].O.O.O.O.[Ca++].N[C@@H](CCC([O-])=O)C([O-])=O.N[C@@H](CCC([O-])=O)C([O-])=O
InChI
InChIKey=JEMRUFTULHBMAJ-GYDBBPQESA-L
InChI=1S/2C5H9NO4.Ca.4H2O/c2*6-3(5(9)10)1-2-4(7)8;;;;;/h2*3H,1-2,6H2,(H,7,8)(H,9,10);;4*1H2/q;;+2;;;;/p-2/t2*3-;;;;;/m00...../s1
| Molecular Formula | C5H7NO4 |
| Molecular Weight | 145.1134 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 | 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 | H2O |
| Molecular Weight | 18.0153 |
| 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
Sat Dec 16 08:23:02 UTC 2023
by
admin
on
Sat Dec 16 08:23:02 UTC 2023
|
| Record UNII |
IPW75840KB
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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71310219
Created by
admin on Sat Dec 16 08:23:02 UTC 2023 , Edited by admin on Sat Dec 16 08:23:02 UTC 2023
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IPW75840KB
Created by
admin on Sat Dec 16 08:23:02 UTC 2023 , Edited by admin on Sat Dec 16 08:23:02 UTC 2023
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69704-19-4
Created by
admin on Sat Dec 16 08:23:02 UTC 2023 , Edited by admin on Sat Dec 16 08:23:02 UTC 2023
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DTXSID20219995
Created by
admin on Sat Dec 16 08:23:02 UTC 2023 , Edited by admin on Sat Dec 16 08:23:02 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
