Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C10H6N8.C7H17NO5.H2O |
| Molecular Weight | 451.4371 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.N1N=NN=C1C2=CC3=CC=CC=C3N4N=NN=C24
InChI
InChIKey=PXORXOKNKGCVHI-BMWGJIJESA-N
InChI=1S/C10H6N8.C7H17NO5.H2O/c1-2-4-8-6(3-1)5-7(9-11-14-15-12-9)10-13-16-17-18(8)10;1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-5H,(H,11,12,14,15);4-13H,2-3H2,1H3;1H2/t;4-,5+,6+,7+;/m.0./s1
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C29712
Created by
admin on Fri Dec 15 15:31:37 UTC 2023 , Edited by admin on Fri Dec 15 15:31:37 UTC 2023
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| Code System | Code | Type | Description | ||
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DD-58
Created by
admin on Fri Dec 15 15:31:37 UTC 2023 , Edited by admin on Fri Dec 15 15:31:37 UTC 2023
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DTXSID40157906
Created by
admin on Fri Dec 15 15:31:37 UTC 2023 , Edited by admin on Fri Dec 15 15:31:37 UTC 2023
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9825038
Created by
admin on Fri Dec 15 15:31:37 UTC 2023 , Edited by admin on Fri Dec 15 15:31:37 UTC 2023
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C66593
Created by
admin on Fri Dec 15 15:31:37 UTC 2023 , Edited by admin on Fri Dec 15 15:31:37 UTC 2023
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133008-33-0
Created by
admin on Fri Dec 15 15:31:37 UTC 2023 , Edited by admin on Fri Dec 15 15:31:37 UTC 2023
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CHEMBL2111132
Created by
admin on Fri Dec 15 15:31:37 UTC 2023 , Edited by admin on Fri Dec 15 15:31:37 UTC 2023
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2IY97B405I
Created by
admin on Fri Dec 15 15:31:37 UTC 2023 , Edited by admin on Fri Dec 15 15:31:37 UTC 2023
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PRIMARY |
ACTIVE MOIETY
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD
