Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H27N2O2S.Br |
| Molecular Weight | 439.41 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Br-].CN(CC[N+]1(C)CCCC1)C(=O)[C@@](O)(C2=CC=CS2)C3=CC=CC=C3
InChI
InChIKey=UAZAHFDNEPPZHN-BDQAORGHSA-M
InChI=1S/C20H27N2O2S.BrH/c1-21(12-15-22(2)13-6-7-14-22)19(23)20(24,18-11-8-16-25-18)17-9-4-3-5-10-17;/h3-5,8-11,16,24H,6-7,12-15H2,1-2H3;1H/q+1;/p-1/t20-;/m0./s1
| Molecular Formula | C20H26N2O2S |
| Molecular Weight | 358.498 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 2 |
| 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
Mon Mar 31 23:45:22 GMT 2025
by
admin
on
Mon Mar 31 23:45:22 GMT 2025
|
| Record UNII |
6959NIY040
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Preferred Name | English | ||
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Common Name | English |
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6959NIY040
Created by
admin on Mon Mar 31 23:45:22 GMT 2025 , Edited by admin on Mon Mar 31 23:45:22 GMT 2025
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PRIMARY | |||
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76964716
Created by
admin on Mon Mar 31 23:45:22 GMT 2025 , Edited by admin on Mon Mar 31 23:45:22 GMT 2025
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PRIMARY |
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RACEMATE -> ENANTIOMER |
