Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C12H16N4O3.C4H6O4.2H2O |
| Molecular Weight | 682.6795 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.OC(=O)CCC(O)=O.OC[C@H]1CN(CC2=CNC3=C2N=CNC3=O)C[C@@H]1O.OC[C@H]4CN(CC5=CNC6=C5N=CNC6=O)C[C@@H]4O
InChI
InChIKey=QEJCWSHGGGKFSI-IGLFIGLUSA-N
InChI=1S/2C12H16N4O3.C4H6O4.2H2O/c2*17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19;5-3(6)1-2-4(7)8;;/h2*1,6,8-9,13,17-18H,2-5H2,(H,14,15,19);1-2H2,(H,5,6)(H,7,8);2*1H2/t2*8-,9+;;;/m11.../s1
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C2151
Created by
admin on Fri Dec 15 21:21:54 GMT 2023 , Edited by admin on Fri Dec 15 21:21:54 GMT 2023
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| Code System | Code | Type | Description | ||
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300000044586
Created by
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ZZ-08
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admin on Fri Dec 15 21:21:54 GMT 2023 , Edited by admin on Fri Dec 15 21:21:54 GMT 2023
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C152794
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admin on Fri Dec 15 21:21:54 GMT 2023 , Edited by admin on Fri Dec 15 21:21:54 GMT 2023
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DTXSID50148961
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A02Q2EBQ6P
Created by
admin on Fri Dec 15 21:21:54 GMT 2023 , Edited by admin on Fri Dec 15 21:21:54 GMT 2023
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135565883
Created by
admin on Fri Dec 15 21:21:54 GMT 2023 , Edited by admin on Fri Dec 15 21:21:54 GMT 2023
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CHEMBL269864
Created by
admin on Fri Dec 15 21:21:54 GMT 2023 , Edited by admin on Fri Dec 15 21:21:54 GMT 2023
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1095173-41-3
Created by
admin on Fri Dec 15 21:21:54 GMT 2023 , Edited by admin on Fri Dec 15 21:21:54 GMT 2023
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PRIMARY |
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD
