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-].[H][C@]12SCC(C[N+]3=CC=CC=C3)=C(N1C(=O)[C@H]2N)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 | H2O |
Molecular Weight | 18.0153 |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:32:39 GMT 2023
by
admin
on
Fri Dec 15 15:32:39 GMT 2023
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Record UNII |
VDW03VFX7L
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Record Status |
Validated (UNII)
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Record Version |
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-
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134160087
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95896-68-7
Created by
admin on Fri Dec 15 15:32:39 GMT 2023 , Edited by admin on Fri Dec 15 15:32:39 GMT 2023
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