Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C23H28F3N3OS.2C4H4O4 |
| Molecular Weight | 683.692 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.OCCN1CCCN(CCCN2C3=C(SC4=C2C=C(C=C4)C(F)(F)F)C=CC=C3)CC1
InChI
InChIKey=FKOKGJVBYOJADW-LVEZLNDCSA-N
InChI=1S/C23H28F3N3OS.2C4H4O4/c24-23(25,26)18-7-8-22-20(17-18)29(19-5-1-2-6-21(19)31-22)12-4-11-27-9-3-10-28(14-13-27)15-16-30;2*5-3(6)1-2-4(7)8/h1-2,5-8,17,30H,3-4,9-16H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
| Molecular Formula | C23H28F3N3OS |
| Molecular Weight | 451.548 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 16 23:45:29 UTC 2022
by
admin
on
Fri Dec 16 23:45:29 UTC 2022
|
| Record UNII |
6JI0CKK90W
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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M236
Created by
admin on Fri Dec 16 23:45:29 UTC 2022 , Edited by admin on Fri Dec 16 23:45:29 UTC 2022
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PRIMARY | Merck Index | ||
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71306417
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3093-71-8
Created by
admin on Fri Dec 16 23:45:29 UTC 2022 , Edited by admin on Fri Dec 16 23:45:29 UTC 2022
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6JI0CKK90W
Created by
admin on Fri Dec 16 23:45:29 UTC 2022 , Edited by admin on Fri Dec 16 23:45:29 UTC 2022
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PRIMARY |
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |