Details
Stereochemistry | RACEMIC |
Molecular Formula | C15H12FO2.Na.2H2O |
Molecular Weight | 302.2733 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.[Na+].CC(C([O-])=O)C1=CC(F)=C(C=C1)C2=CC=CC=C2
InChI
InChIKey=GNMBMOULKUXEQF-UHFFFAOYSA-M
InChI=1S/C15H13FO2.Na.2H2O/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11;;;/h2-10H,1H3,(H,17,18);;2*1H2/q;+1;;/p-1
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 | 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 | C15H13FO2 |
Molecular Weight | 244.2609 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:41:28 UTC 2023
by
admin
on
Fri Dec 15 16:41:28 UTC 2023
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Record UNII |
Z5B97MU9K4
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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 |
C1323
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NCI_THESAURUS |
C29577
Created by
admin on Fri Dec 15 16:41:28 UTC 2023 , Edited by admin on Fri Dec 15 16:41:28 UTC 2023
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Z5B97MU9K4
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56767-76-1
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SUB02240MIG
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1285807
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300000031318
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91351
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Z5B97MU9K4
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23706216
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CHEMBL563
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DBSALT000544
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C47997
Created by
admin on Fri Dec 15 16:41:28 UTC 2023 , Edited by admin on Fri Dec 15 16:41:28 UTC 2023
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Related Record | Type | Details | ||
---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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BASIS OF STRENGTH->SUBSTANCE |
ASSAY (HPLC)
USP
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ANHYDROUS->SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |