Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C12H13ClN4.C2H6O4S |
| Molecular Weight | 374.843 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OCCS(O)(=O)=O.CCC1=C(C(N)=NC(N)=N1)C2=CC=C(Cl)C=C2
InChI
InChIKey=DFMXZKTVDQNLAX-UHFFFAOYSA-N
InChI=1S/C12H13ClN4.C2H6O4S/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7;3-1-2-7(4,5)6/h3-6H,2H2,1H3,(H4,14,15,16,17);3H,1-2H2,(H,4,5,6)
| Molecular Formula | C2H6O4S |
| Molecular Weight | 126.132 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C12H13ClN4 |
| Molecular Weight | 248.711 |
| 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 15:24:53 UTC 2023
by
admin
on
Fri Dec 15 15:24:53 UTC 2023
|
| Record UNII |
A144HG11TB
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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161085
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A144HG11TB
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admin on Fri Dec 15 15:24:53 UTC 2023 , Edited by admin on Fri Dec 15 15:24:53 UTC 2023
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238-764-4
Created by
admin on Fri Dec 15 15:24:53 UTC 2023 , Edited by admin on Fri Dec 15 15:24:53 UTC 2023
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DTXSID40933060
Created by
admin on Fri Dec 15 15:24:53 UTC 2023 , Edited by admin on Fri Dec 15 15:24:53 UTC 2023
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14720-95-7
Created by
admin on Fri Dec 15 15:24:53 UTC 2023 , Edited by admin on Fri Dec 15 15:24:53 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |