Details
Stereochemistry | RACEMIC |
Molecular Formula | C13H19N2O3.CH3O4S |
Molecular Weight | 362.399 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
COS([O-])(=O)=O.CCOC(=O)C1=C[N+](C)=C2CCCC(C)N2C1=O
InChI
InChIKey=SEISMQVOJUJKGE-UHFFFAOYSA-M
InChI=1S/C13H19N2O3.CH4O4S/c1-4-18-13(17)10-8-14(3)11-7-5-6-9(2)15(11)12(10)16;1-5-6(2,3)4/h8-9H,4-7H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
Molecular Formula | C13H19N2O3 |
Molecular Weight | 251.3016 |
Charge | 1 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:33:09 UTC 2023
by
admin
on
Fri Dec 15 16:33:09 UTC 2023
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Record UNII |
99YI50276I
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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 |
C257
Created by
admin on Fri Dec 15 16:33:09 UTC 2023 , Edited by admin on Fri Dec 15 16:33:09 UTC 2023
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3129
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SUB10321MIG
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DTXSID10951276
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CHEMBL1182743
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71939
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100000080566
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249-103-4
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admin on Fri Dec 15 16:33:09 UTC 2023 , Edited by admin on Fri Dec 15 16:33:09 UTC 2023
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C76811
Created by
admin on Fri Dec 15 16:33:09 UTC 2023 , Edited by admin on Fri Dec 15 16:33:09 UTC 2023
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28610-84-6
Created by
admin on Fri Dec 15 16:33:09 UTC 2023 , Edited by admin on Fri Dec 15 16:33:09 UTC 2023
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m1245
Created by
admin on Fri Dec 15 16:33:09 UTC 2023 , Edited by admin on Fri Dec 15 16:33:09 UTC 2023
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PRIMARY | Merck Index | ||
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99YI50276I
Created by
admin on Fri Dec 15 16:33:09 UTC 2023 , Edited by admin on Fri Dec 15 16:33:09 UTC 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |