Details
Stereochemistry | ACHIRAL |
Molecular Formula | C17H19N3O.CH4O3S |
Molecular Weight | 377.458 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(O)=CC=C3
InChI
InChIKey=OGIYDFVHFQEFKQ-UHFFFAOYSA-N
InChI=1S/C17H19N3O.CH4O3S/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15;1-5(2,3)4/h2-8,11,21H,9-10,12H2,1H3,(H,18,19);1H3,(H,2,3,4)
Molecular Formula | C17H19N3O |
Molecular Weight | 281.3523 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
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 15:07:54 UTC 2023
by
admin
on
Fri Dec 15 15:07:54 UTC 2023
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Record UNII |
Y7543E5K9T
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Record Status |
Validated (UNII)
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Record Version |
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-
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Code | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C29713
Created by
admin on Fri Dec 15 15:07:54 UTC 2023 , Edited by admin on Fri Dec 15 15:07:54 UTC 2023
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Code System | Code | Type | Description | ||
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100000091550
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CHEMBL597
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200-604-6
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DTXSID60215315
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DBSALT000980
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SUB03769MIG
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m8646
Created by
admin on Fri Dec 15 15:07:54 UTC 2023 , Edited by admin on Fri Dec 15 15:07:54 UTC 2023
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PRIMARY | Merck Index | ||
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Y7543E5K9T
Created by
admin on Fri Dec 15 15:07:54 UTC 2023 , Edited by admin on Fri Dec 15 15:07:54 UTC 2023
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65-28-1
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Y7543E5K9T
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admin on Fri Dec 15 15:07:54 UTC 2023 , Edited by admin on Fri Dec 15 15:07:54 UTC 2023
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227240
Created by
admin on Fri Dec 15 15:07:54 UTC 2023 , Edited by admin on Fri Dec 15 15:07:54 UTC 2023
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PRIMARY | RxNorm | ||
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91430
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admin on Fri Dec 15 15:07:54 UTC 2023 , Edited by admin on Fri Dec 15 15:07:54 UTC 2023
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C38691
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admin on Fri Dec 15 15:07:54 UTC 2023 , Edited by admin on Fri Dec 15 15:07:54 UTC 2023
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8081
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admin on Fri Dec 15 15:07:54 UTC 2023 , Edited by admin on Fri Dec 15 15:07:54 UTC 2023
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1530004
Created by
admin on Fri Dec 15 15:07:54 UTC 2023 , Edited by admin on Fri Dec 15 15:07:54 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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Related Record | Type | Details | ||
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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