Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C15H17FN4O2.C6H12O7 |
Molecular Weight | 500.4748 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.CCOC(=O)NC1=CC=C(NCC2=CC=C(F)C=C2)N=C1N
InChI
InChIKey=KTUKTXYTLNEYHO-IFWQJVLJSA-N
InChI=1S/C15H17FN4O2.C6H12O7/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10;7-1-2(8)3(9)4(10)5(11)6(12)13/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20);2-5,7-11H,1H2,(H,12,13)/t;2-,3-,4+,5-/m.1/s1
Molecular Formula | C15H17FN4O2 |
Molecular Weight | 304.3195 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C6H12O7 |
Molecular Weight | 196.1553 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 17:18:24 UTC 2023
by
admin
on
Fri Dec 15 17:18:24 UTC 2023
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Record UNII |
D7NP6CR89M
|
Record Status |
Validated (UNII)
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Record Version |
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-
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18608234
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259480
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admin on Fri Dec 15 17:18:24 UTC 2023 , Edited by admin on Fri Dec 15 17:18:24 UTC 2023
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815586-85-7
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DBSALT002360
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DTXSID90231200
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admin on Fri Dec 15 17:18:24 UTC 2023 , Edited by admin on Fri Dec 15 17:18:24 UTC 2023
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SUB02233MIG
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admin on Fri Dec 15 17:18:24 UTC 2023 , Edited by admin on Fri Dec 15 17:18:24 UTC 2023
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D7NP6CR89M
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admin on Fri Dec 15 17:18:24 UTC 2023 , Edited by admin on Fri Dec 15 17:18:24 UTC 2023
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100000087013
Created by
admin on Fri Dec 15 17:18:24 UTC 2023 , Edited by admin on Fri Dec 15 17:18:24 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |