Details
Stereochemistry | RACEMIC |
Molecular Formula | 2C15H13O3.Ca.2H2O |
Molecular Weight | 558.632 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.[Ca++].CC(C([O-])=O)C1=CC=CC(OC2=CC=CC=C2)=C1.CC(C([O-])=O)C3=CC=CC(OC4=CC=CC=C4)=C3
InChI
InChIKey=LZPBLUATTGKZBH-UHFFFAOYSA-L
InChI=1S/2C15H14O3.Ca.2H2O/c2*1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13;;;/h2*2-11H,1H3,(H,16,17);;2*1H2/q;;+2;;/p-2
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 | C15H13O3 |
Molecular Weight | 241.2619 |
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 16:26:40 UTC 2023
by
admin
on
Fri Dec 15 16:26:40 UTC 2023
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Record UNII |
0X2CW1QABJ
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Record Status |
Validated (UNII)
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Record Version |
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-
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Code | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C257
Created by
admin on Fri Dec 15 16:26:41 UTC 2023 , Edited by admin on Fri Dec 15 16:26:41 UTC 2023
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267171
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m5281
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DBSALT001038
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64747
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0X2CW1QABJ
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0X2CW1QABJ
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CHEMBL1297
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C61761
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100000092319
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5005
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53746-45-5
Created by
admin on Fri Dec 15 16:26:41 UTC 2023 , Edited by admin on Fri Dec 15 16:26:41 UTC 2023
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Related Record | Type | Details | ||
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ANHYDROUS->SOLVATE | |||
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BASIS OF STRENGTH->SUBSTANCE |
ASSAY (HPLC)
USP
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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IMPURITY -> PARENT |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |