Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C17H22NOS2.Br |
| Molecular Weight | 400.397 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Br-].CO[C@@H]1CC(C[N+](C)(C)C1)=C(C2=CC=CS2)C3=CC=CS3
InChI
InChIKey=QTSXMEPZSHLZFF-PFEQFJNWSA-M
InChI=1S/C17H22NOS2.BrH/c1-18(2)11-13(10-14(12-18)19-3)17(15-6-4-8-20-15)16-7-5-9-21-16;/h4-9,14H,10-12H2,1-3H3;1H/q+1;/p-1/t14-;/m1./s1
| Molecular Formula | C17H22NOS2 |
| Molecular Weight | 320.493 |
| Charge | 1 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | BrH |
| Molecular Weight | 80.912 |
| 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 11:45:06 UTC 2023
by
admin
on
Sat Dec 16 11:45:06 UTC 2023
|
| Record UNII |
8UF5147255
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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76963417
Created by
admin on Sat Dec 16 11:45:06 UTC 2023 , Edited by admin on Sat Dec 16 11:45:06 UTC 2023
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PRIMARY | |||
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8UF5147255
Created by
admin on Sat Dec 16 11:45:06 UTC 2023 , Edited by admin on Sat Dec 16 11:45:06 UTC 2023
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166582-17-8
Created by
admin on Sat Dec 16 11:45:06 UTC 2023 , Edited by admin on Sat Dec 16 11:45:06 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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RACEMATE -> ENANTIOMER |
