Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C22H26ClN7O3S |
| Molecular Weight | 504.005 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=NC(NC2=NC=C(S2)C(=O)NC3=C(Cl)C=CC=C3C)=CC(=N1)N4CC[N+]([O-])(CCO)CC4
InChI
InChIKey=UEFNEEZCTQCRAW-UHFFFAOYSA-N
InChI=1S/C22H26ClN7O3S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(34-17)27-18-12-19(26-15(2)25-18)29-6-8-30(33,9-7-29)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
| Molecular Formula | C22H26ClN7O3S |
| Molecular Weight | 504.005 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Thu Jul 06 15:43:26 UTC 2023
by
admin
on
Thu Jul 06 15:43:26 UTC 2023
|
| Record UNII |
B16WQA6880
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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B16WQA6880
Created by
admin on Thu Jul 06 15:43:26 UTC 2023 , Edited by admin on Thu Jul 06 15:43:26 UTC 2023
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PRIMARY | |||
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DTXSID50474434
Created by
admin on Thu Jul 06 15:43:26 UTC 2023 , Edited by admin on Thu Jul 06 15:43:26 UTC 2023
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910297-52-8
Created by
admin on Thu Jul 06 15:43:26 UTC 2023 , Edited by admin on Thu Jul 06 15:43:26 UTC 2023
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11854535
Created by
admin on Thu Jul 06 15:43:26 UTC 2023 , Edited by admin on Thu Jul 06 15:43:26 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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M5 and M6 were 10-fold less active than dasatinib
MAJOR
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