Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C13H14N3O3S.Cl.ClH.2H2O |
| Molecular Weight | 400.278 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.Cl.[Cl-].N[C@H]1[C@H]2SCC(C[N+]3=CC=CC=C3)=C(N2C1=O)C(O)=O
InChI
InChIKey=KOZGTFBQRJLPCA-VUAFBSFLSA-N
InChI=1S/C13H13N3O3S.2ClH.2H2O/c14-9-11(17)16-10(13(18)19)8(7-20-12(9)16)6-15-4-2-1-3-5-15;;;;/h1-5,9,12H,6-7,14H2;2*1H;2*1H2/t9-,12-;;;;/m1..../s1
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C13H14N3O3S |
| Molecular Weight | 292.334 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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
Mon Mar 31 18:00:39 GMT 2025
by
admin
on
Mon Mar 31 18:00:39 GMT 2025
|
| Record UNII |
VDW03VFX7L
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Systematic Name | English |
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VDW03VFX7L
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134160087
Created by
admin on Mon Mar 31 18:00:39 GMT 2025 , Edited by admin on Mon Mar 31 18:00:39 GMT 2025
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95896-68-7
Created by
admin on Mon Mar 31 18:00:39 GMT 2025 , Edited by admin on Mon Mar 31 18:00:39 GMT 2025
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