Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C9H11N2O9P.2Na.4H2O |
| Molecular Weight | 440.2061 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.O.[Na+].[Na+].OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=CC(=O)NC2=O
InChI
InChIKey=QHPWOHJINWCUMB-AVTKVCAJSA-L
InChI=1S/C9H13N2O9P.2Na.4H2O/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15;;;;;;/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18);;;4*1H2/q;2*+1;;;;/p-2/t4-,6-,7-,8-;;;;;;/m1....../s1
| 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 |
| Molecular Formula | C9H11N2O9P |
| Molecular Weight | 322.1654 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Na |
| Molecular Weight | 22.98976928 |
| Charge | 1 |
| 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
Tue Apr 01 18:12:54 GMT 2025
by
admin
on
Tue Apr 01 18:12:54 GMT 2025
|
| Record UNII |
E78J377EZ6
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Name | Type | Language | ||
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Common Name | English | ||
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Preferred Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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E78J377EZ6
Created by
admin on Tue Apr 01 18:12:54 GMT 2025 , Edited by admin on Tue Apr 01 18:12:54 GMT 2025
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PRIMARY | |||
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121596582
Created by
admin on Tue Apr 01 18:12:54 GMT 2025 , Edited by admin on Tue Apr 01 18:12:54 GMT 2025
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36351-26-5
Created by
admin on Tue Apr 01 18:12:54 GMT 2025 , Edited by admin on Tue Apr 01 18:12:54 GMT 2025
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PRIMARY |
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|---|---|---|---|---|
|
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PARENT -> SALT/SOLVATE | |||
|
ANHYDROUS->SOLVATE |