Details
Stereochemistry | ACHIRAL |
Molecular Formula | C8H12N2.H2O4S |
Molecular Weight | 234.273 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.NNCCC1=CC=CC=C1
InChI
InChIKey=RXBKMJIPNDOHFR-UHFFFAOYSA-N
InChI=1S/C8H12N2.H2O4S/c9-10-7-6-8-4-2-1-3-5-8;1-5(2,3)4/h1-5,10H,6-7,9H2;(H2,1,2,3,4)
Molecular Formula | H2O4S |
Molecular Weight | 98.078 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C8H12N2 |
Molecular Weight | 136.1943 |
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 15:02:20 UTC 2023
by
admin
on
Fri Dec 15 15:02:20 UTC 2023
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Record UNII |
2681D7P965
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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 |
C667
Created by
admin on Fri Dec 15 15:02:20 UTC 2023 , Edited by admin on Fri Dec 15 15:02:20 UTC 2023
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Code System | Code | Type | Description | ||
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m8605
Created by
admin on Fri Dec 15 15:02:20 UTC 2023 , Edited by admin on Fri Dec 15 15:02:20 UTC 2023
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PRIMARY | Merck Index | ||
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2681D7P965
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8124
Created by
admin on Fri Dec 15 15:02:20 UTC 2023 , Edited by admin on Fri Dec 15 15:02:20 UTC 2023
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PRIMARY | RxNorm | ||
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205-856-0
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CHEMBL1089
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DTXSID3021144
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DBSALT000954
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156-51-4
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1517006
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SUB03740MIG
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admin on Fri Dec 15 15:02:20 UTC 2023 , Edited by admin on Fri Dec 15 15:02:20 UTC 2023
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C47668
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100000092820
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170957
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61100
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2681D7P965
Created by
admin on Fri Dec 15 15:02:20 UTC 2023 , Edited by admin on Fri Dec 15 15:02:20 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |