Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C15H25N3O.2CH4O3S |
Molecular Weight | 455.59 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.CS(O)(=O)=O.C[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CCCCN
InChI
InChIKey=CETWSOHVEGTIBR-FORAGAHYSA-N
InChI=1S/C15H25N3O.2CH4O3S/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16;2*1-5(2,3)4/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19);2*1H3,(H,2,3,4)/t12-,14-;;/m0../s1
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 |
Molecular Formula | C15H25N3O |
Molecular Weight | 263.3785 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:52:55 UTC 2023
by
admin
on
Fri Dec 15 15:52:55 UTC 2023
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Record UNII |
SJT761GEGS
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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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DEA NO. |
1205
Created by
admin on Fri Dec 15 15:52:55 UTC 2023 , Edited by admin on Fri Dec 15 15:52:55 UTC 2023
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NCI_THESAURUS |
C29728
Created by
admin on Fri Dec 15 15:52:55 UTC 2023 , Edited by admin on Fri Dec 15 15:52:55 UTC 2023
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NCI_THESAURUS |
C47795
Created by
admin on Fri Dec 15 15:52:55 UTC 2023 , Edited by admin on Fri Dec 15 15:52:55 UTC 2023
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Code System | Code | Type | Description | ||
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QQ-95
Created by
admin on Fri Dec 15 15:52:55 UTC 2023 , Edited by admin on Fri Dec 15 15:52:55 UTC 2023
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PRIMARY | |||
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100000124520
Created by
admin on Fri Dec 15 15:52:55 UTC 2023 , Edited by admin on Fri Dec 15 15:52:55 UTC 2023
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SJT761GEGS
Created by
admin on Fri Dec 15 15:52:55 UTC 2023 , Edited by admin on Fri Dec 15 15:52:55 UTC 2023
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608137-33-3
Created by
admin on Fri Dec 15 15:52:55 UTC 2023 , Edited by admin on Fri Dec 15 15:52:55 UTC 2023
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CHEMBL1201222
Created by
admin on Fri Dec 15 15:52:55 UTC 2023 , Edited by admin on Fri Dec 15 15:52:55 UTC 2023
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m6841
Created by
admin on Fri Dec 15 15:52:55 UTC 2023 , Edited by admin on Fri Dec 15 15:52:55 UTC 2023
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PRIMARY | Merck Index | ||
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SJT761GEGS
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admin on Fri Dec 15 15:52:55 UTC 2023 , Edited by admin on Fri Dec 15 15:52:55 UTC 2023
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DBSALT002824
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admin on Fri Dec 15 15:52:55 UTC 2023 , Edited by admin on Fri Dec 15 15:52:55 UTC 2023
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11597697
Created by
admin on Fri Dec 15 15:52:55 UTC 2023 , Edited by admin on Fri Dec 15 15:52:55 UTC 2023
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C514020
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admin on Fri Dec 15 15:52:55 UTC 2023 , Edited by admin on Fri Dec 15 15:52:55 UTC 2023
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C76628
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SUB32146
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admin on Fri Dec 15 15:52:55 UTC 2023 , Edited by admin on Fri Dec 15 15:52:55 UTC 2023
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673579
Created by
admin on Fri Dec 15 15:52:55 UTC 2023 , Edited by admin on Fri Dec 15 15:52:55 UTC 2023
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PRIMARY | RxNorm | ||
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DTXSID60209653
Created by
admin on Fri Dec 15 15:52:55 UTC 2023 , Edited by admin on Fri Dec 15 15:52:55 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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IMPURITY -> PARENT |
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IMPURITY -> PARENT |
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ACTIVE MOIETY |
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