Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H17N6O8S3.Na |
| Molecular Weight | 564.548 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[H][C@]12SCC(CSC3=NN=NN3CS([O-])(=O)=O)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C4=CC=CC=C4)C(O)=O
InChI
InChIKey=WZTUULPOBSTZKR-CFOLLTDRSA-M
InChI=1S/C18H18N6O8S3.Na/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32;/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32);/q;+1/p-1/t11-,13-,16-;/m1./s1
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C357
Created by
admin on Fri Dec 15 16:39:11 UTC 2023 , Edited by admin on Fri Dec 15 16:39:11 UTC 2023
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759142
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23664040
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C76170
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266801
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admin on Fri Dec 15 16:39:11 UTC 2023 , Edited by admin on Fri Dec 15 16:39:11 UTC 2023
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U-104
Created by
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QD9G66C5UF
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CHEMBL1601
Created by
admin on Fri Dec 15 16:39:11 UTC 2023 , Edited by admin on Fri Dec 15 16:39:11 UTC 2023
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71420-79-6
Created by
admin on Fri Dec 15 16:39:11 UTC 2023 , Edited by admin on Fri Dec 15 16:39:11 UTC 2023
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PRIMARY |
ACTIVE MOIETY
SUBSTANCE RECORD