Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | 2C20H17FNO4.Ca.H2O |
| Molecular Weight | 766.797 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[Ca++].COC1=CC=CC(=C1)C2=CC(F)=C(NC(=O)C3=C(CCC3)C([O-])=O)C=C2.COC4=CC=CC(=C4)C5=CC(F)=C(NC(=O)C6=C(CCC6)C([O-])=O)C=C5
InChI
InChIKey=MRCIEZYDSATFIW-UHFFFAOYSA-L
InChI=1S/2C20H18FNO4.Ca.H2O/c2*1-26-14-5-2-4-12(10-14)13-8-9-18(17(21)11-13)22-19(23)15-6-3-7-16(15)20(24)25;;/h2*2,4-5,8-11H,3,6-7H2,1H3,(H,22,23)(H,24,25);;1H2/q;;+2;/p-2
| 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 |
| Molecular Formula | C20H17FNO4 |
| Molecular Weight | 354.3517 |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:18:17 UTC 2023
by
admin
on
Sat Dec 16 14:18:17 UTC 2023
|
| Record UNII |
7N9V0U5X93
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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7N9V0U5X93
Created by
admin on Sat Dec 16 14:18:18 UTC 2023 , Edited by admin on Sat Dec 16 14:18:18 UTC 2023
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PRIMARY | |||
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2728666-90-6
Created by
admin on Sat Dec 16 14:18:18 UTC 2023 , Edited by admin on Sat Dec 16 14:18:18 UTC 2023
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164512938
Created by
admin on Sat Dec 16 14:18:18 UTC 2023 , Edited by admin on Sat Dec 16 14:18:18 UTC 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE |
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ANHYDROUS->SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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