Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C21H27N3O3S.CH4O3S |
Molecular Weight | 497.628 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.NS(=O)(=O)C1=CC=C(C=C1)N2CCN(CC[C@@H]3OCCC4=C3C=CC=C4)CC2
InChI
InChIKey=GFNAQGUENCOUHQ-BOXHHOBZSA-N
InChI=1S/C21H27N3O3S.CH4O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21;1-5(2,3)4/h1-8,21H,9-16H2,(H2,22,25,26);1H3,(H,2,3,4)/t21-;/m0./s1
Molecular Formula | C21H27N3O3S |
Molecular Weight | 401.522 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | CH4O3S |
Molecular Weight | 96.106 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:56:42 UTC 2023
by
admin
on
Fri Dec 15 15:56:42 UTC 2023
|
Record UNII |
980MD32QLW
|
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 |
C66883
Created by
admin on Fri Dec 15 15:56:42 UTC 2023 , Edited by admin on Fri Dec 15 15:56:42 UTC 2023
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Code System | Code | Type | Description | ||
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170858-34-1
Created by
admin on Fri Dec 15 15:56:42 UTC 2023 , Edited by admin on Fri Dec 15 15:56:42 UTC 2023
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JJ-53
Created by
admin on Fri Dec 15 15:56:42 UTC 2023 , Edited by admin on Fri Dec 15 15:56:42 UTC 2023
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133078
Created by
admin on Fri Dec 15 15:56:42 UTC 2023 , Edited by admin on Fri Dec 15 15:56:42 UTC 2023
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DTXSID00168957
Created by
admin on Fri Dec 15 15:56:42 UTC 2023 , Edited by admin on Fri Dec 15 15:56:42 UTC 2023
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PRIMARY | |||
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CHEMBL69759
Created by
admin on Fri Dec 15 15:56:42 UTC 2023 , Edited by admin on Fri Dec 15 15:56:42 UTC 2023
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PRIMARY | |||
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980MD32QLW
Created by
admin on Fri Dec 15 15:56:42 UTC 2023 , Edited by admin on Fri Dec 15 15:56:42 UTC 2023
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PRIMARY | |||
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C84177
Created by
admin on Fri Dec 15 15:56:42 UTC 2023 , Edited by admin on Fri Dec 15 15:56:42 UTC 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |