Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C22H25BrN2O4S |
| Molecular Weight | 493.414 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | Assumed racemic |
SHOW SMILES / InChI
SMILES
CCOC(=O)C1=C(C[S+]([O-])C2=CC=CC=C2)N(C)C3=C1C(CN(C)C)=C(O)C(Br)=C3
InChI
InChIKey=CTIGWEMWZSPYAS-UHFFFAOYSA-N
InChI=1S/C22H25BrN2O4S/c1-5-29-22(27)20-18(13-30(28)14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3
| Molecular Formula | C22H25BrN2O4S |
| Molecular Weight | 493.414 |
| 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
Tue Apr 01 22:47:14 GMT 2025
by
admin
on
Tue Apr 01 22:47:14 GMT 2025
|
| Record UNII |
K7Z9APJ3SC
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Preferred Name | English | ||
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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K7Z9APJ3SC
Created by
admin on Tue Apr 01 22:47:14 GMT 2025 , Edited by admin on Tue Apr 01 22:47:14 GMT 2025
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PRIMARY | |||
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151455-33-3
Created by
admin on Tue Apr 01 22:47:14 GMT 2025 , Edited by admin on Tue Apr 01 22:47:14 GMT 2025
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15956613
Created by
admin on Tue Apr 01 22:47:14 GMT 2025 , Edited by admin on Tue Apr 01 22:47:14 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE ACTIVE |
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