Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C13H13N3.C6H6O3S |
| Molecular Weight | 369.437 |
| Optical Activity | NONE |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | Meso |
SHOW SMILES / InChI
SMILES
OS(=O)(=O)C1=CC=CC=C1.C2[C@H]3CNC[C@@H]2C4=CC5=NC=CN=C5C=C34
InChI
InChIKey=OJEXMCLASPLOIP-UFIFRZAQSA-N
InChI=1S/C13H13N3.C6H6O3S/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)/t8-,9+;
| 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 | C13H13N3 |
| Molecular Weight | 211.2624 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:17:32 UTC 2023
by
admin
on
Sat Dec 16 19:17:32 UTC 2023
|
| Record UNII |
L9G5JM632V
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Common Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
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164512892
Created by
admin on Sat Dec 16 19:17:32 UTC 2023 , Edited by admin on Sat Dec 16 19:17:32 UTC 2023
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PRIMARY | |||
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1449383-09-8
Created by
admin on Sat Dec 16 19:17:32 UTC 2023 , Edited by admin on Sat Dec 16 19:17:32 UTC 2023
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PRIMARY | |||
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L9G5JM632V
Created by
admin on Sat Dec 16 19:17:32 UTC 2023 , Edited by admin on Sat Dec 16 19:17:32 UTC 2023
|
PRIMARY |
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|---|---|---|---|---|
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SOLVATE->ANHYDROUS |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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