Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C22H22N6O5S2.H2O4S |
Molecular Weight | 612.656 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.[H][C@]12SCC(C[N+]3=C4CCCC4=CC=C3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C5=CSC(N)=N5)C([O-])=O
InChI
InChIKey=RKTNPKZEPLCLSF-QHBKFCFHSA-N
InChI=1S/C22H22N6O5S2.H2O4S/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27;1-5(2,3)4/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32);(H2,1,2,3,4)/b26-15-;/t16-,20-;/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 15:42:32 UTC 2023 , Edited by admin on Fri Dec 15 15:42:32 UTC 2023
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Code System | Code | Type | Description | ||
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DBSALT002707
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CHEMBL65794
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236104
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admin on Fri Dec 15 15:42:32 UTC 2023 , Edited by admin on Fri Dec 15 15:42:32 UTC 2023
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BA5ALU2ZT9
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9960551
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m3211
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admin on Fri Dec 15 15:42:32 UTC 2023 , Edited by admin on Fri Dec 15 15:42:32 UTC 2023
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DTXSID8046909
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SUB01131MIG
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AA-102
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3503
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C87463
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98753-19-6
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admin on Fri Dec 15 15:42:32 UTC 2023 , Edited by admin on Fri Dec 15 15:42:32 UTC 2023
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100000090532
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admin on Fri Dec 15 15:42:32 UTC 2023 , Edited by admin on Fri Dec 15 15:42:32 UTC 2023
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ACTIVE MOIETY
SUBSTANCE RECORD