Details
Stereochemistry | RACEMIC |
Molecular Formula | C22H28NO3.CH3O4S |
Molecular Weight | 465.56 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
COS([O-])(=O)=O.C[N+]1(C)CCCCC1COC(=O)C(O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChIKey=AXKJGGRSAVLXTE-UHFFFAOYSA-M
InChI=1S/C22H28NO3.CH4O4S/c1-23(2)16-10-9-15-20(23)17-26-21(24)22(25,18-11-5-3-6-12-18)19-13-7-4-8-14-19;1-5-6(2,3)4/h3-8,11-14,20,25H,9-10,15-17H2,1-2H3;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 | C22H28NO3 |
Molecular Weight | 354.4626 |
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 15:36:47 UTC 2023
by
admin
on
Fri Dec 15 15:36:47 UTC 2023
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Record UNII |
UWC15E373Z
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C66880
Created by
admin on Fri Dec 15 15:36:47 UTC 2023 , Edited by admin on Fri Dec 15 15:36:47 UTC 2023
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31799
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C72944
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SUB05809MIG
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CHEMBL1882461
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226-001-8
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5205-82-3
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DTXSID3046615
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UWC15E373Z
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m2467
Created by
admin on Fri Dec 15 15:36:47 UTC 2023 , Edited by admin on Fri Dec 15 15:36:47 UTC 2023
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100000085874
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2456
Created by
admin on Fri Dec 15 15:36:47 UTC 2023 , Edited by admin on Fri Dec 15 15:36:47 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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ENANTIOMER -> RACEMATE | |||
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ENANTIOMER -> RACEMATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |