Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C18H27O3S |
| Molecular Weight | 323.47 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 1 |
SHOW SMILES / InChI
SMILES
C[S+](C)CCOC(=O)C(O)(C1CCCCC1)C2=CC=CC=C2
InChI
InChIKey=PMFZALLSVLZXMR-UHFFFAOYSA-N
InChI=1S/C18H27O3S/c1-22(2)14-13-21-17(19)18(20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3,5-6,9-10,16,20H,4,7-8,11-14H2,1-2H3/q+1
| Molecular Formula | C18H26O3S |
| Molecular Weight | 322.462 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:35:26 GMT 2025
by
admin
on
Mon Mar 31 18:35:26 GMT 2025
|
| Record UNII |
878BVP1Q4D
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Systematic Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C66880
Created by
admin on Mon Mar 31 18:35:26 GMT 2025 , Edited by admin on Mon Mar 31 18:35:26 GMT 2025
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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71524
Created by
admin on Mon Mar 31 18:35:26 GMT 2025 , Edited by admin on Mon Mar 31 18:35:26 GMT 2025
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2040
Created by
admin on Mon Mar 31 18:35:26 GMT 2025 , Edited by admin on Mon Mar 31 18:35:26 GMT 2025
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PRIMARY | |||
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C87605
Created by
admin on Mon Mar 31 18:35:26 GMT 2025 , Edited by admin on Mon Mar 31 18:35:26 GMT 2025
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PRIMARY | |||
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878BVP1Q4D
Created by
admin on Mon Mar 31 18:35:26 GMT 2025 , Edited by admin on Mon Mar 31 18:35:26 GMT 2025
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PRIMARY | |||
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24869-49-6
Created by
admin on Mon Mar 31 18:35:26 GMT 2025 , Edited by admin on Mon Mar 31 18:35:26 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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SALT/SOLVATE -> PARENT |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
