Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H27NO4S |
| Molecular Weight | 377.498 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCC\C=C/C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1NS(=O)(=O)C3=CC=CC=C3
InChI
InChIKey=PWTCIBWRMQFJBC-ZEMKZVSASA-N
InChI=1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16+,18+,20+/m1/s1
| Molecular Formula | C20H27NO4S |
| Molecular Weight | 377.498 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:45:39 UTC 2023
by
admin
on
Sat Dec 16 16:45:39 UTC 2023
|
| Record UNII |
742F5K270Q
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Official Name | English | ||
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Common Name | English | ||
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Systematic Name | English | ||
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Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C29750
Created by
admin on Sat Dec 16 16:45:40 UTC 2023 , Edited by admin on Sat Dec 16 16:45:40 UTC 2023
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| Code System | Code | Type | Description | ||
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CHEMBL3301671
Created by
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7348
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100000080779
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C65463
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112966-96-8
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742F5K270Q
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5312138
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3165
Created by
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m4735
Created by
admin on Sat Dec 16 16:45:40 UTC 2023 , Edited by admin on Sat Dec 16 16:45:40 UTC 2023
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PRIMARY | Merck Index | ||
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DTXSID401318399
Created by
admin on Sat Dec 16 16:45:40 UTC 2023 , Edited by admin on Sat Dec 16 16:45:40 UTC 2023
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SUB06358MIG
Created by
admin on Sat Dec 16 16:45:40 UTC 2023 , Edited by admin on Sat Dec 16 16:45:40 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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SALT/SOLVATE -> PARENT |
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TARGET -> INHIBITOR |
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SALT/SOLVATE -> PARENT |
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RACEMATE -> ENANTIOMER |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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