Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C17H14BrN3O3S |
| Molecular Weight | 420.28 |
| Optical Activity | ( + / - ) |
| Additional Stereochemistry | Yes |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | AXIAL, RACEMIC |
SHOW SMILES / InChI
SMILES
OC(=O)CSC1=NN=C(Br)N1C2=C3C=CC=CC3=C(C=C2)C4(O)CC4
InChI
InChIKey=OITJAWILQVRIFB-UHFFFAOYSA-N
InChI=1S/C17H14BrN3O3S/c18-15-19-20-16(25-9-14(22)23)21(15)13-6-5-12(17(24)7-8-17)10-3-1-2-4-11(10)13/h1-6,24H,7-9H2,(H,22,23)
| Molecular Formula | C17H14BrN3O3S |
| Molecular Weight | 420.28 |
| 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 13:39:10 UTC 2023
by
admin
on
Sat Dec 16 13:39:10 UTC 2023
|
| Record UNII |
XWR9K4ETK8
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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2128286-82-6
Created by
admin on Sat Dec 16 13:39:11 UTC 2023 , Edited by admin on Sat Dec 16 13:39:11 UTC 2023
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130381856
Created by
admin on Sat Dec 16 13:39:11 UTC 2023 , Edited by admin on Sat Dec 16 13:39:11 UTC 2023
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XWR9K4ETK8
Created by
admin on Sat Dec 16 13:39:11 UTC 2023 , Edited by admin on Sat Dec 16 13:39:11 UTC 2023
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PRIMARY |
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PARENT -> METABOLITE |
AMOUNT EXCRETED
FECAL
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PARENT -> METABOLITE |
AMOUNT EXCRETED
URINE
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