Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C13H12N5O5S2.Na |
Molecular Weight | 405.385 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)C(=N/O)\C3=CSC(N)=N3)C([O-])=O
InChI
InChIKey=MBSNJKZJCZZDRP-TZJBYNJXSA-M
InChI=1S/C13H13N5O5S2.Na/c1-4-2-24-11-7(10(20)18(11)8(4)12(21)22)16-9(19)6(17-23)5-3-25-13(14)15-5;/h3,7,11,23H,2H2,1H3,(H2,14,15)(H,16,19)(H,21,22);/q;+1/p-1/b17-6-;/t7-,11-;/m1./s1
Molecular Formula | Na |
Molecular Weight | 22.9898 |
Charge | 1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C13H12N5O5S2 |
Molecular Weight | 382.395 |
Charge | -1 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 1 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:48:35 GMT 2023
by
admin
on
Sat Dec 16 19:48:35 GMT 2023
|
Record UNII |
8WWC75HN5X
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Record Status |
Validated (UNII)
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Record Version |
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-
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66436-47-3
Created by
admin on Sat Dec 16 19:48:35 GMT 2023 , Edited by admin on Sat Dec 16 19:48:35 GMT 2023
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PRIMARY | |||
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8WWC75HN5X
Created by
admin on Sat Dec 16 19:48:35 GMT 2023 , Edited by admin on Sat Dec 16 19:48:35 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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