Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C12H12N6O10S2.2Na |
Molecular Weight | 510.367 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].NC(=O)OC[C@@H]1[C@H](NC(=O)C(=N/OCC([O-])=O)\C2=CSC(N)=N2)C(=O)N1S([O-])(=O)=O
InChI
InChIKey=BGGXRVPCJUKHTQ-AHCAJXDVSA-L
InChI=1S/C12H14N6O10S2.2Na/c13-11-15-4(3-29-11)7(17-28-2-6(19)20)9(21)16-8-5(1-27-12(14)23)18(10(8)22)30(24,25)26;;/h3,5,8H,1-2H2,(H2,13,15)(H2,14,23)(H,16,21)(H,19,20)(H,24,25,26);;/q;2*+1/p-2/b17-7-;;/t5-,8+;;/m1../s1
Approval Year
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C260
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admin on Fri Dec 15 15:19:20 UTC 2023 , Edited by admin on Fri Dec 15 15:19:20 UTC 2023
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9568618
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100000084877
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CHEMBL1614658
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DTXSID1046712
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U-111
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C79905
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B4J4M4939D
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86832-68-0
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31363
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SUB01073MIG
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m3141
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PRIMARY | Merck Index |
ACTIVE MOIETY
SUBSTANCE RECORD