Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C20H18N6O7S4.2Na |
Molecular Weight | 628.632 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].[H][C@]12SCC(CSC3=NC(C)=C(CC([O-])=O)S3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C4=CSC(N)=N4)C([O-])=O
InChI
InChIKey=WBOBLQIRACJNPA-AEKYOGSZSA-L
InChI=1S/C20H20N6O7S4.2Na/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9;;/h6,13,17H,3-5H2,1-2H3,(H2,21,23)(H,24,29)(H,27,28)(H,31,32);;/q;2*+1/p-2/b25-12-;;/t13-,17-;;/m1../s1
Approval Year
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NCI_THESAURUS |
C357
Created by
admin on Fri Dec 15 15:32:56 UTC 2023 , Edited by admin on Fri Dec 15 15:32:56 UTC 2023
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HC1T51593A
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CHEMBL2303613
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admin on Fri Dec 15 15:32:56 UTC 2023 , Edited by admin on Fri Dec 15 15:32:56 UTC 2023
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C98225
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admin on Fri Dec 15 15:32:56 UTC 2023 , Edited by admin on Fri Dec 15 15:32:56 UTC 2023
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86329-79-5
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m3199
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admin on Fri Dec 15 15:32:56 UTC 2023 , Edited by admin on Fri Dec 15 15:32:56 UTC 2023
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DBSALT002923
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DTXSID9046730
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SUB01120MIG
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9852176
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100000084698
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admin on Fri Dec 15 15:32:56 UTC 2023 , Edited by admin on Fri Dec 15 15:32:56 UTC 2023
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ACTIVE MOIETY
SUBSTANCE RECORD