Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C21H26NO3.CH3O4S |
| Molecular Weight | 451.533 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COS([O-])(=O)=O.C[N+]1(C)CCCC1COC(=O)C(O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChIKey=DQHAZEKGLAMVFA-UHFFFAOYSA-M
InChI=1S/C21H26NO3.CH4O4S/c1-22(2)15-9-14-19(22)16-25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;1-5-6(2,3)4/h3-8,10-13,19,24H,9,14-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
| Molecular Formula | CH3O4S |
| Molecular Weight | 111.097 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C21H26NO3 |
| Molecular Weight | 340.436 |
| Charge | 1 |
| Count |
|
| Stereochemistry | MIXED |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 17:59:01 GMT 2023
by
admin
on
Fri Dec 15 17:59:01 GMT 2023
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| Record UNII |
564C0W9848
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| Record Status |
Validated (UNII)
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| Record Version |
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564C0W9848
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DTXSID80969686
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C175193
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C030725
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CHEMBL2110948
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m8941
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11017
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208-894-6
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| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
