Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H18ClNO4S |
| Molecular Weight | 379.858 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(=O)N[C@@H](CS[C@H](C1=CC=C(O)C=C1)C2=CC=C(Cl)C=C2)C(O)=O
InChI
InChIKey=OKZVPXPSRARYOK-IRXDYDNUSA-N
InChI=1S/C18H18ClNO4S/c1-11(21)20-16(18(23)24)10-25-17(12-2-6-14(19)7-3-12)13-4-8-15(22)9-5-13/h2-9,16-17,22H,10H2,1H3,(H,20,21)(H,23,24)/t16-,17-/m0/s1
| Molecular Formula | C18H18ClNO4S |
| Molecular Weight | 379.858 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:43:39 GMT 2025
by
admin
on
Mon Mar 31 22:43:39 GMT 2025
|
| Record UNII |
1ZMS7XQY28
|
| Record Status |
Validated (UNII)
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| Record Version |
|
-
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1ZMS7XQY28
Created by
admin on Mon Mar 31 22:43:39 GMT 2025 , Edited by admin on Mon Mar 31 22:43:39 GMT 2025
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442863-82-3
Created by
admin on Mon Mar 31 22:43:39 GMT 2025 , Edited by admin on Mon Mar 31 22:43:39 GMT 2025
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91810649
Created by
admin on Mon Mar 31 22:43:39 GMT 2025 , Edited by admin on Mon Mar 31 22:43:39 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
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PARENT -> METABOLITE |