Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C18H19N3O3S.C4H6O6 |
| Molecular Weight | 507.514 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C3=CC=CC=N3
InChI
InChIKey=ADQQXOGMNHWLRB-LREBCSMRSA-N
InChI=1S/C18H19N3O3S.C4H6O6/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15;5-1(3(7)8)2(6)4(9)10/h2-9,15H,10-12H2,1H3,(H,20,22,23);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
| Molecular Formula | C4H6O6 |
| Molecular Weight | 150.0868 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C18H19N3O3S |
| Molecular Weight | 357.427 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:23:11 UTC 2023
by
admin
on
Sat Dec 16 19:23:11 UTC 2023
|
| Record UNII |
3DQ9JH6CDA
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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3DQ9JH6CDA
Created by
admin on Sat Dec 16 19:23:12 UTC 2023 , Edited by admin on Sat Dec 16 19:23:12 UTC 2023
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9849118
Created by
admin on Sat Dec 16 19:23:12 UTC 2023 , Edited by admin on Sat Dec 16 19:23:12 UTC 2023
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397263-86-4
Created by
admin on Sat Dec 16 19:23:12 UTC 2023 , Edited by admin on Sat Dec 16 19:23:12 UTC 2023
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300000047319
Created by
admin on Sat Dec 16 19:23:12 UTC 2023 , Edited by admin on Sat Dec 16 19:23:12 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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