Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C11H8O8P2.4Na.6H2O |
| Molecular Weight | 530.1747 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].CC1=C(OP([O-])([O-])=O)C2=CC=CC=C2C(OP([O-])([O-])=O)=C1
InChI
InChIKey=QIWDGSYHBCMXSI-UHFFFAOYSA-J
InChI=1S/C11H12O8P2.4Na.6H2O/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17;;;;;;;;;;/h2-6H,1H3,(H2,12,13,14)(H2,15,16,17);;;;;6*1H2/q;4*+1;;;;;;/p-4
| Molecular Formula | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C11H12O8P2 |
| Molecular Weight | 334.1557 |
| Charge | 0 |
| 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
Fri Dec 15 15:16:14 UTC 2023
by
admin
on
Fri Dec 15 15:16:14 UTC 2023
|
| Record UNII |
2OVL75B30W
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C943
Created by
admin on Fri Dec 15 15:16:14 UTC 2023 , Edited by admin on Fri Dec 15 15:16:14 UTC 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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C66084
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6700-42-1
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2OVL75B30W
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300000040292
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5032
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Kappadione
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SUB03141MIG
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CHEMBL1201348
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197855
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DTXSID50217202
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DB09332
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |