Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 2C25H23FNO4.Ca.5H2O |
Molecular Weight | 971.06 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 2 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.O.O.[Ca++].O[C@H](C[C@H](O)\C=C\C1=C(C2=CC=C(F)C=C2)C3=CC=CC=C3N=C1C4CC4)CC([O-])=O.O[C@H](C[C@H](O)\C=C\C5=C(C6=CC=C(F)C=C6)C7=CC=CC=C7N=C5C8CC8)CC([O-])=O
InChI
InChIKey=NDBJDUMINXAFLN-VKBJLXQDSA-L
InChI=1S/2C25H24FNO4.Ca.5H2O/c2*26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31;;;;;;/h2*1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31);;5*1H2/q;;+2;;;;;/p-2/b2*12-11+;;;;;;/t2*18-,19-;;;;;;/m11....../s1
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 | C25H23FNO4 |
Molecular Weight | 420.4528 |
Charge | -1 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 1 |
Optical Activity | UNSPECIFIED |
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 12:51:56 UTC 2023
by
admin
on
Sat Dec 16 12:51:56 UTC 2023
|
Record UNII |
GMK323785E
|
Record Status |
Validated (UNII)
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Record Version |
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-
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122706735
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100000167198
Created by
admin on Sat Dec 16 12:51:57 UTC 2023 , Edited by admin on Sat Dec 16 12:51:57 UTC 2023
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SUB181602
Created by
admin on Sat Dec 16 12:51:57 UTC 2023 , Edited by admin on Sat Dec 16 12:51:57 UTC 2023
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GMK323785E
Created by
admin on Sat Dec 16 12:51:57 UTC 2023 , Edited by admin on Sat Dec 16 12:51:57 UTC 2023
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1852536-33-4
Created by
admin on Sat Dec 16 12:51:57 UTC 2023 , Edited by admin on Sat Dec 16 12:51:57 UTC 2023
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Related Record | Type | Details | ||
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |