Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C25H23FNO4.Ca |
| Molecular Weight | 880.984 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[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=RHGYHLPFVJEAOC-FFNUKLMVSA-L
InChI=1S/2C25H24FNO4.Ca/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);/q;;+2/p-2/b2*12-11+;/t2*18-,19-;/m11./s1
| 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 | 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 15:36:21 UTC 2023
by
admin
on
Fri Dec 15 15:36:21 UTC 2023
|
| Record UNII |
IYD54XEG3W
|
| 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 |
C1655
Created by
admin on Fri Dec 15 15:36:21 UTC 2023 , Edited by admin on Fri Dec 15 15:36:21 UTC 2023
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| Code System | Code | Type | Description | ||
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CHEMBL1201753
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IYD54XEG3W
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32020
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861640
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147526-32-7
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C87752
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m8891
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admin on Fri Dec 15 15:36:21 UTC 2023 , Edited by admin on Fri Dec 15 15:36:21 UTC 2023
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5282451
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C108475
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DTXSID4046448
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SUB20723
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IYD54XEG3W
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DBSALT000140
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100000088296
Created by
admin on Fri Dec 15 15:36:21 UTC 2023 , Edited by admin on Fri Dec 15 15:36:21 UTC 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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SOLVATE->ANHYDROUS | |||
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |