Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C22H18F3N5O2S2 |
| Molecular Weight | 505.536 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)C1=NC(=C(S1)C2=NC(N)=NC=C2)C3=CC=CC(NS(=O)(=O)C4=C(F)C=CC=C4F)=C3F
InChI
InChIKey=MQEHPCURISZMGR-UHFFFAOYSA-N
InChI=1S/C22H18F3N5O2S2/c1-11(2)21-29-18(19(33-21)16-9-10-27-22(26)28-16)12-5-3-8-15(17(12)25)30-34(31,32)20-13(23)6-4-7-14(20)24/h3-11,30H,1-2H3,(H2,26,27,28)
| Molecular Formula | C22H18F3N5O2S2 |
| Molecular Weight | 505.536 |
| 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
Sat Dec 16 09:07:14 GMT 2023
by
admin
on
Sat Dec 16 09:07:14 GMT 2023
|
| Record UNII |
3EHQ1EWE0D
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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3EHQ1EWE0D
Created by
admin on Sat Dec 16 09:07:14 GMT 2023 , Edited by admin on Sat Dec 16 09:07:14 GMT 2023
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1195765-47-9
Created by
admin on Sat Dec 16 09:07:14 GMT 2023 , Edited by admin on Sat Dec 16 09:07:14 GMT 2023
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58345847
Created by
admin on Sat Dec 16 09:07:14 GMT 2023 , Edited by admin on Sat Dec 16 09:07:14 GMT 2023
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DTXSID901108690
Created by
admin on Sat Dec 16 09:07:14 GMT 2023 , Edited by admin on Sat Dec 16 09:07:14 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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METABOLIC ENZYME -> SUBSTRATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE ACTIVE |
Desmethyl-dabrafenib is likely to contribute to the clinical activity of dabrafenib. Carboxy-dabrafenib can be decarboxylated via a non-enzymatic process in the gut to form desmethyl-dabrafenib and reabsorbed.
FECAL; PLASMA
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