Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C22H22FN3O3.C4H6O6 |
Molecular Weight | 545.5136 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.FC1=CC=C(C=C1)C(=O)C2CCN(CCN3C(=O)NC4=C(C=CC=C4)C3=O)CC2
InChI
InChIKey=KMTLTEVOQLMYRS-LREBCSMRSA-N
InChI=1S/C22H22FN3O3.C4H6O6/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29;5-1(3(7)8)2(6)4(9)10/h1-8,16H,9-14H2,(H,24,29);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
Molecular Formula | C22H22FN3O3 |
Molecular Weight | 395.4268 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C4H6O6 |
Molecular Weight | 150.0868 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:03:02 UTC 2023
by
admin
on
Fri Dec 15 18:03:02 UTC 2023
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Record UNII |
645498QK7H
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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 |
C66885
Created by
admin on Fri Dec 15 18:03:02 UTC 2023 , Edited by admin on Fri Dec 15 18:03:02 UTC 2023
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Code System | Code | Type | Description | ||
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281-062-8
Created by
admin on Fri Dec 15 18:03:02 UTC 2023 , Edited by admin on Fri Dec 15 18:03:02 UTC 2023
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PRIMARY | |||
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100000086461
Created by
admin on Fri Dec 15 18:03:02 UTC 2023 , Edited by admin on Fri Dec 15 18:03:02 UTC 2023
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758959
Created by
admin on Fri Dec 15 18:03:02 UTC 2023 , Edited by admin on Fri Dec 15 18:03:02 UTC 2023
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m6614
Created by
admin on Fri Dec 15 18:03:02 UTC 2023 , Edited by admin on Fri Dec 15 18:03:02 UTC 2023
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PRIMARY | Merck Index | ||
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83846-83-7
Created by
admin on Fri Dec 15 18:03:02 UTC 2023 , Edited by admin on Fri Dec 15 18:03:02 UTC 2023
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645498QK7H
Created by
admin on Fri Dec 15 18:03:02 UTC 2023 , Edited by admin on Fri Dec 15 18:03:02 UTC 2023
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SUB02831MIG
Created by
admin on Fri Dec 15 18:03:02 UTC 2023 , Edited by admin on Fri Dec 15 18:03:02 UTC 2023
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16219944
Created by
admin on Fri Dec 15 18:03:02 UTC 2023 , Edited by admin on Fri Dec 15 18:03:02 UTC 2023
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DTXSID701003945
Created by
admin on Fri Dec 15 18:03:02 UTC 2023 , Edited by admin on Fri Dec 15 18:03:02 UTC 2023
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C2036
Created by
admin on Fri Dec 15 18:03:02 UTC 2023 , Edited by admin on Fri Dec 15 18:03:02 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |