Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C21H17N6O10S4.3Na |
Molecular Weight | 710.623 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].[Na+].[H][C@]12SCC(CSC3=C(C([O-])=O)C(=O)NS3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC(C)(C)C([O-])=O)\C4=CSC(N)=N4)C([O-])=O
InChI
InChIKey=CSTWJIMFWZQABL-HNVVXWNDSA-K
InChI=1S/C21H20N6O10S4.3Na/c1-21(2,19(35)36)37-25-9(7-5-40-20(22)23-7)13(29)24-10-14(30)27-11(17(33)34)6(3-38-15(10)27)4-39-18-8(16(31)32)12(28)26-41-18;;;/h5,10,15H,3-4H2,1-2H3,(H2,22,23)(H,24,29)(H,26,28)(H,31,32)(H,33,34)(H,35,36);;;/q;3*+1/p-3/b25-9-;;;/t10-,15-;;;/m1.../s1
Molecular Formula | C21H17N6O10S4 |
Molecular Weight | 641.654 |
Charge | -3 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 1 |
Optical Activity | UNSPECIFIED |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:04:41 GMT 2023
by
admin
on
Sat Dec 16 10:04:41 GMT 2023
|
Record UNII |
97ROW4597G
|
Record Status |
Validated (UNII)
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Record Version |
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-
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121596615
Created by
admin on Sat Dec 16 10:04:41 GMT 2023 , Edited by admin on Sat Dec 16 10:04:41 GMT 2023
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97ROW4597G
Created by
admin on Sat Dec 16 10:04:41 GMT 2023 , Edited by admin on Sat Dec 16 10:04:41 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |