Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C19H17ClF3NO4 |
Molecular Weight | 415.791 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(=O)NCCOC(=O)[C@H](OC1=CC=CC(=C1)C(F)(F)F)C2=CC=C(Cl)C=C2
InChI
InChIKey=BJBCSGQLZQGGIQ-QGZVFWFLSA-N
InChI=1S/C19H17ClF3NO4/c1-12(25)24-9-10-27-18(26)17(13-5-7-15(20)8-6-13)28-16-4-2-3-14(11-16)19(21,22)23/h2-8,11,17H,9-10H2,1H3,(H,24,25)/t17-/m1/s1
Molecular Formula | C19H17ClF3NO4 |
Molecular Weight | 415.791 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 17:50:11 UTC 2023
by
admin
on
Sat Dec 16 17:50:11 UTC 2023
|
Record UNII |
1P01UJR9X1
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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 |
C921
Created by
admin on Sat Dec 16 17:50:12 UTC 2023 , Edited by admin on Sat Dec 16 17:50:12 UTC 2023
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Code System | Code | Type | Description | ||
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1P01UJR9X1
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ZZ-38
Created by
admin on Sat Dec 16 17:50:12 UTC 2023 , Edited by admin on Sat Dec 16 17:50:12 UTC 2023
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1030594-27-4
Created by
admin on Sat Dec 16 17:50:12 UTC 2023 , Edited by admin on Sat Dec 16 17:50:12 UTC 2023
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100000170164
Created by
admin on Sat Dec 16 17:50:12 UTC 2023 , Edited by admin on Sat Dec 16 17:50:12 UTC 2023
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DB11811
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admin on Sat Dec 16 17:50:12 UTC 2023 , Edited by admin on Sat Dec 16 17:50:12 UTC 2023
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12082259
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admin on Sat Dec 16 17:50:12 UTC 2023 , Edited by admin on Sat Dec 16 17:50:12 UTC 2023
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24136-23-0
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admin on Sat Dec 16 17:50:12 UTC 2023 , Edited by admin on Sat Dec 16 17:50:12 UTC 2023
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9160
Created by
admin on Sat Dec 16 17:50:12 UTC 2023 , Edited by admin on Sat Dec 16 17:50:12 UTC 2023
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C83536
Created by
admin on Sat Dec 16 17:50:12 UTC 2023 , Edited by admin on Sat Dec 16 17:50:12 UTC 2023
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SUB184033
Created by
admin on Sat Dec 16 17:50:12 UTC 2023 , Edited by admin on Sat Dec 16 17:50:12 UTC 2023
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CHEMBL2103824
Created by
admin on Sat Dec 16 17:50:12 UTC 2023 , Edited by admin on Sat Dec 16 17:50:12 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
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RACEMATE -> ENANTIOMER |
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Related Record | Type | Details | ||
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METABOLITE ACTIVE -> PRODRUG |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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