Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C13H14N3O3S.I |
| Molecular Weight | 419.238 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[I-].N[C@H]1[C@H]2SCC(C[N+]3=CC=CC=C3)=C(N2C1=O)C(O)=O
InChI
InChIKey=SZYIIYPUOUTNDY-WYUVZMMLSA-N
InChI=1S/C13H13N3O3S.HI/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;1H/t9-,12-;/m1./s1
| Molecular Formula | HI |
| Molecular Weight | 127.91241 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C13H13N3O3S |
| Molecular Weight | 291.326 |
| 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
Mon Mar 31 18:09:19 GMT 2025
by
admin
on
Mon Mar 31 18:09:19 GMT 2025
|
| Record UNII |
G9113PML9Z
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Systematic Name | English | ||
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Preferred Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
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106937-15-9
Created by
admin on Mon Mar 31 18:09:19 GMT 2025 , Edited by admin on Mon Mar 31 18:09:19 GMT 2025
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100988-63-4
Created by
admin on Mon Mar 31 18:09:19 GMT 2025 , Edited by admin on Mon Mar 31 18:09:19 GMT 2025
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DTXSID60275651
Created by
admin on Mon Mar 31 18:09:19 GMT 2025 , Edited by admin on Mon Mar 31 18:09:19 GMT 2025
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12875708
Created by
admin on Mon Mar 31 18:09:19 GMT 2025 , Edited by admin on Mon Mar 31 18:09:19 GMT 2025
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105459-61-8
Created by
admin on Mon Mar 31 18:09:19 GMT 2025 , Edited by admin on Mon Mar 31 18:09:19 GMT 2025
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SUPERSEDED | |||
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G9113PML9Z
Created by
admin on Mon Mar 31 18:09:19 GMT 2025 , Edited by admin on Mon Mar 31 18:09:19 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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