Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C28H24N6O10S2.Na.H |
Molecular Weight | 692.652 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H+].[Na+].[H][C@]12SCC(C[N+]3=CC=C(CCS([O-])(=O)=O)C=C3)=C(N1C(=O)[C@H]2NC(=O)[C@@H](NC(=O)C4=C(NC=N4)C([O-])=O)C5=CC=CC=C5)C([O-])=O
InChI
InChIKey=JLUNZNNMKVKUOH-TZVBBFNXSA-M
InChI=1S/C28H26N6O10S2.Na/c35-23(18(16-4-2-1-3-5-16)31-24(36)19-20(27(38)39)30-14-29-19)32-21-25(37)34-22(28(40)41)17(13-45-26(21)34)12-33-9-6-15(7-10-33)8-11-46(42,43)44;/h1-7,9-10,14,18,21,26H,8,11-13H2,(H5-,29,30,31,32,35,36,38,39,40,41,42,43,44);/q;+1/p-1/t18-,21+,26+;/m0./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 15:17:45 UTC 2023 , Edited by admin on Fri Dec 15 15:17:45 UTC 2023
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CHEMBL2103902
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85287-61-2
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admin on Fri Dec 15 15:17:45 UTC 2023 , Edited by admin on Fri Dec 15 15:17:45 UTC 2023
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SUB01129MIG
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admin on Fri Dec 15 15:17:45 UTC 2023 , Edited by admin on Fri Dec 15 15:17:45 UTC 2023
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100000084700
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W-118
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admin on Fri Dec 15 15:17:45 UTC 2023 , Edited by admin on Fri Dec 15 15:17:45 UTC 2023
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m1060
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admin on Fri Dec 15 15:17:45 UTC 2023 , Edited by admin on Fri Dec 15 15:17:45 UTC 2023
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PRIMARY | Merck Index | ||
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C81031
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admin on Fri Dec 15 15:17:45 UTC 2023 , Edited by admin on Fri Dec 15 15:17:45 UTC 2023
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55324
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admin on Fri Dec 15 15:17:45 UTC 2023 , Edited by admin on Fri Dec 15 15:17:45 UTC 2023
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DTXSID401005778
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X4628IMC52
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admin on Fri Dec 15 15:17:45 UTC 2023 , Edited by admin on Fri Dec 15 15:17:45 UTC 2023
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ACTIVE MOIETY
SUBSTANCE RECORD