Details
Stereochemistry | RACEMIC |
Molecular Formula | C19H15F3N4O3.H2O |
Molecular Weight | 422.3579 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.NC1CCN(C1)C2=NC3=C(C=C2F)C(=O)C(=CN3C4=CC=C(F)C=C4F)C(O)=O
InChI
InChIKey=FCHGAGZTPICOSW-UHFFFAOYSA-N
InChI=1S/C19H15F3N4O3.H2O/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25;/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29);1H2
Molecular Formula | C19H15F3N4O3 |
Molecular Weight | 404.3426 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
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
Fri Dec 15 16:02:43 UTC 2023
by
admin
on
Fri Dec 15 16:02:43 UTC 2023
|
Record UNII |
6239812J7L
|
Record Status |
Validated (UNII)
|
Record Version |
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-
Download
Name | Type | Language | ||
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Common Name | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C795
Created by
admin on Fri Dec 15 16:02:43 UTC 2023 , Edited by admin on Fri Dec 15 16:02:43 UTC 2023
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Code System | Code | Type | Description | ||
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6239812J7L
Created by
admin on Fri Dec 15 16:02:43 UTC 2023 , Edited by admin on Fri Dec 15 16:02:43 UTC 2023
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PRIMARY | |||
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DTXSID80910234
Created by
admin on Fri Dec 15 16:02:43 UTC 2023 , Edited by admin on Fri Dec 15 16:02:43 UTC 2023
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PRIMARY | |||
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44154493
Created by
admin on Fri Dec 15 16:02:43 UTC 2023 , Edited by admin on Fri Dec 15 16:02:43 UTC 2023
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PRIMARY | |||
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C76233
Created by
admin on Fri Dec 15 16:02:43 UTC 2023 , Edited by admin on Fri Dec 15 16:02:43 UTC 2023
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PRIMARY | |||
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107097-79-0
Created by
admin on Fri Dec 15 16:02:43 UTC 2023 , Edited by admin on Fri Dec 15 16:02:43 UTC 2023
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PRIMARY |
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 |