Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C13H17N3O.C9H7NO4S |
| Molecular Weight | 456.515 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC1=C(C=CC2=C1N=CC=C2)S(O)(=O)=O.CN(C)C3=C(C)N(C)N(C3=O)C4=CC=CC=C4
InChI
InChIKey=QKTQVOHDBURFQG-UHFFFAOYSA-N
InChI=1S/C13H17N3O.C9H7NO4S/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;11-9-7(15(12,13)14)4-3-6-2-1-5-10-8(6)9/h5-9H,1-4H3;1-5,11H,(H,12,13,14)
| Molecular Formula | C9H7NO4S |
| Molecular Weight | 225.221 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C13H17N3O |
| Molecular Weight | 231.2936 |
| 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
Sat Dec 16 16:34:39 UTC 2023
by
admin
on
Sat Dec 16 16:34:39 UTC 2023
|
| Record UNII |
9FJ50DJA4M
|
| Record Status |
Validated (UNII)
|
| Record Version |
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9FJ50DJA4M
Created by
admin on Sat Dec 16 16:34:39 UTC 2023 , Edited by admin on Sat Dec 16 16:34:39 UTC 2023
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10027070
Created by
admin on Sat Dec 16 16:34:39 UTC 2023 , Edited by admin on Sat Dec 16 16:34:39 UTC 2023
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3520-48-7
Created by
admin on Sat Dec 16 16:34:39 UTC 2023 , Edited by admin on Sat Dec 16 16:34:39 UTC 2023
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NON-SPECIFIC STOICHIOMETRY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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