Details
Stereochemistry | ACHIRAL |
Molecular Formula | C19H15NO7.Ca |
Molecular Weight | 409.403 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].CCCC1=C2OC(=CC(=O)C2=CC3=C1N(CC)C(=CC3=O)C([O-])=O)C([O-])=O
InChI
InChIKey=FGUNXXYEYHFDNX-UHFFFAOYSA-L
InChI=1S/C19H17NO7.Ca/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11;/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26);/q;+2/p-2
Molecular Formula | C19H15NO7 |
Molecular Weight | 369.3249 |
Charge | -2 |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:52:14 UTC 2023
by
admin
on
Fri Dec 15 15:52:14 UTC 2023
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Record UNII |
0983W479HH
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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
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admin on Fri Dec 15 15:52:14 UTC 2023 , Edited by admin on Fri Dec 15 15:52:14 UTC 2023
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DTXSID00144074
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101626-68-0
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51030
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0983W479HH
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C82647
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SUB14633MIG
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100000076499
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Y-57
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CHEMBL746
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68731
Created by
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |