Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C7H6O6S.C6H12N4.H2O |
| Molecular Weight | 376.386 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.C1N2CN3CN1CN(C2)C3.OC(=O)C4=C(O)C=CC(=C4)S(O)(=O)=O
InChI
InChIKey=LSLQJEMTDYAWAR-UHFFFAOYSA-N
InChI=1S/C7H6O6S.C6H12N4.H2O/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;1-7-2-9-4-8(1)5-10(3-7)6-9;/h1-3,8H,(H,9,10)(H,11,12,13);1-6H2;1H2
| Molecular Formula | C7H6O6S |
| Molecular Weight | 218.184 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C6H12N4 |
| Molecular Weight | 140.1863 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| 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 18:35:26 UTC 2023
by
admin
on
Fri Dec 15 18:35:26 UTC 2023
|
| Record UNII |
61CU4T79WM
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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DTXSID00209096
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admin on Fri Dec 15 18:35:26 UTC 2023 , Edited by admin on Fri Dec 15 18:35:26 UTC 2023
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56841785
Created by
admin on Fri Dec 15 18:35:26 UTC 2023 , Edited by admin on Fri Dec 15 18:35:26 UTC 2023
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61CU4T79WM
Created by
admin on Fri Dec 15 18:35:26 UTC 2023 , Edited by admin on Fri Dec 15 18:35:26 UTC 2023
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6033-39-2
Created by
admin on Fri Dec 15 18:35:26 UTC 2023 , Edited by admin on Fri Dec 15 18:35:26 UTC 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |
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ACTIVE MOIETY |