Details
Stereochemistry | ACHIRAL |
Molecular Formula | C15H12NO3.Na.H2O |
Molecular Weight | 295.2657 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[Na+].NC1=C(C=CC=C1CC([O-])=O)C(=O)C2=CC=CC=C2
InChI
InChIKey=QZNJPJDUBTYMRS-UHFFFAOYSA-M
InChI=1S/C15H13NO3.Na.H2O/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10;;/h1-8H,9,16H2,(H,17,18);;1H2/q;+1;/p-1
Molecular Formula | HO |
Molecular Weight | 17.0073 |
Charge | -1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C15H13NO3 |
Molecular Weight | 255.2686 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 17:00:53 UTC 2023
by
admin
on
Fri Dec 15 17:00:53 UTC 2023
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Record UNII |
PPF9V8J28Y
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C257
Created by
admin on Fri Dec 15 17:00:54 UTC 2023 , Edited by admin on Fri Dec 15 17:00:54 UTC 2023
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Code System | Code | Type | Description | ||
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23663941
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31202
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C142919
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PPF9V8J28Y
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CHEMBL25146
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SUB00433MIG
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admin on Fri Dec 15 17:00:54 UTC 2023 , Edited by admin on Fri Dec 15 17:00:54 UTC 2023
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100000085129
Created by
admin on Fri Dec 15 17:00:54 UTC 2023 , Edited by admin on Fri Dec 15 17:00:54 UTC 2023
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m1659
Created by
admin on Fri Dec 15 17:00:54 UTC 2023 , Edited by admin on Fri Dec 15 17:00:54 UTC 2023
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PRIMARY | Merck Index | ||
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61618-27-7
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admin on Fri Dec 15 17:00:54 UTC 2023 , Edited by admin on Fri Dec 15 17:00:54 UTC 2023
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DTXSID30977216
Created by
admin on Fri Dec 15 17:00:54 UTC 2023 , Edited by admin on Fri Dec 15 17:00:54 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |