Details
Stereochemistry | RACEMIC |
Molecular Formula | 2C15H12NO3.Ca |
Molecular Weight | 548.599 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].[O-]C(=O)C1CCN2C1=CC=C2C(=O)C3=CC=CC=C3.[O-]C(=O)C4CCN5C4=CC=C5C(=O)C6=CC=CC=C6
InChI
InChIKey=NPCGTDZMTWNBDA-UHFFFAOYSA-L
InChI=1S/2C15H13NO3.Ca/c2*17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13;/h2*1-7,11H,8-9H2,(H,18,19);/q;;+2/p-2
Molecular Formula | C15H12NO3 |
Molecular Weight | 254.2607 |
Charge | -1 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
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 15:41:38 UTC 2023
by
admin
on
Fri Dec 15 15:41:38 UTC 2023
|
Record UNII |
52541KD36N
|
Record Status |
Validated (UNII)
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Record Version |
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-
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52541KD36N
Created by
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167105-81-9
Created by
admin on Fri Dec 15 15:41:38 UTC 2023 , Edited by admin on Fri Dec 15 15:41:38 UTC 2023
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71587565
Created by
admin on Fri Dec 15 15:41:38 UTC 2023 , Edited by admin on Fri Dec 15 15:41:38 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |