Details
| Stereochemistry | UNKNOWN |
| Molecular Formula | C17H16BrN3O4S |
| Molecular Weight | 438.296 |
| Optical Activity | UNSPECIFIED |
| Additional Stereochemistry | Yes |
| Defined Stereocenters | 0 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | AXIAL, RACEMIC |
SHOW SMILES / InChI
SMILES
OC1C=CC2=C(C=CC(C3CC3)=C2C1O)N4C(Br)=NN=C4SCC(O)=O
InChI
InChIKey=ZCQKHGJASDTLHR-UHFFFAOYSA-N
InChI=1S/C17H16BrN3O4S/c18-16-19-20-17(26-7-13(23)24)21(16)11-5-3-9(8-1-2-8)14-10(11)4-6-12(22)15(14)25/h3-6,8,12,15,22,25H,1-2,7H2,(H,23,24)
| Molecular Formula | C17H16BrN3O4S |
| Molecular Weight | 438.296 |
| Charge | 0 |
| Count |
|
| Stereochemistry | MIXED |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
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 |
KS8G8KZ1NF
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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KS8G8KZ1NF
Created by
admin on Sat Dec 16 13:39:10 UTC 2023 , Edited by admin on Sat Dec 16 13:39:10 UTC 2023
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2129551-55-7
Created by
admin on Sat Dec 16 13:39:10 UTC 2023 , Edited by admin on Sat Dec 16 13:39:10 UTC 2023
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130381854
Created by
admin on Sat Dec 16 13:39:10 UTC 2023 , Edited by admin on Sat Dec 16 13:39:10 UTC 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
PLASMA
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PARENT -> METABOLITE |
AMOUNT EXCRETED
URINE
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PARENT -> METABOLITE |
AMOUNT EXCRETED
FECAL
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