Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C13H13N3.C6H6O3S.H2O |
| Molecular Weight | 387.453 |
| Optical Activity | NONE |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | Meso |
SHOW SMILES / InChI
SMILES
O.OS(=O)(=O)C1=CC=CC=C1.C2[C@H]3CNC[C@@H]2C4=CC5=NC=CN=C5C=C34
InChI
InChIKey=KWNVPXRPGMLJGH-DRJPZDRJSA-N
InChI=1S/C13H13N3.C6H6O3S.H2O/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1;7-10(8,9)6-4-2-1-3-5-6;/h1-2,4-5,8-9,14H,3,6-7H2;1-5H,(H,7,8,9);1H2/t8-,9+;;
| Molecular Formula | C13H13N3 |
| Molecular Weight | 211.2624 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C6H6O3S |
| Molecular Weight | 158.175 |
| 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
Sat Dec 16 19:19:08 UTC 2023
by
admin
on
Sat Dec 16 19:19:08 UTC 2023
|
| Record UNII |
P4J7CHY2JV
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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164512907
Created by
admin on Sat Dec 16 19:19:08 UTC 2023 , Edited by admin on Sat Dec 16 19:19:08 UTC 2023
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P4J7CHY2JV
Created by
admin on Sat Dec 16 19:19:08 UTC 2023 , Edited by admin on Sat Dec 16 19:19:08 UTC 2023
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2144802-73-1
Created by
admin on Sat Dec 16 19:19:08 UTC 2023 , Edited by admin on Sat Dec 16 19:19:08 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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ANHYDROUS->SOLVATE |
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