Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H22N4.C4H6O6 |
| Molecular Weight | 420.4595 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1CCCC1=NC(=NC2=CC=CC=C2)N3CCCC3
InChI
InChIKey=POCOFJTXQYWTDN-LREBCSMRSA-N
InChI=1S/C16H22N4.C4H6O6/c1-19-11-7-10-15(19)18-16(20-12-5-6-13-20)17-14-8-3-2-4-9-14;5-1(3(7)8)2(6)4(9)10/h2-4,8-9H,5-7,10-13H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C29711
Created by
admin on Fri Dec 15 18:54:32 UTC 2023 , Edited by admin on Fri Dec 15 18:54:32 UTC 2023
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| Code System | Code | Type | Description | ||
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44103
Created by
admin on Fri Dec 15 18:54:32 UTC 2023 , Edited by admin on Fri Dec 15 18:54:32 UTC 2023
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DTXSID50978189
Created by
admin on Fri Dec 15 18:54:32 UTC 2023 , Edited by admin on Fri Dec 15 18:54:32 UTC 2023
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CHEMBL2110986
Created by
admin on Fri Dec 15 18:54:32 UTC 2023 , Edited by admin on Fri Dec 15 18:54:32 UTC 2023
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5U693HK3QB
Created by
admin on Fri Dec 15 18:54:32 UTC 2023 , Edited by admin on Fri Dec 15 18:54:32 UTC 2023
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C021239
Created by
admin on Fri Dec 15 18:54:32 UTC 2023 , Edited by admin on Fri Dec 15 18:54:32 UTC 2023
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C98277
Created by
admin on Fri Dec 15 18:54:32 UTC 2023 , Edited by admin on Fri Dec 15 18:54:32 UTC 2023
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62625-19-8
Created by
admin on Fri Dec 15 18:54:32 UTC 2023 , Edited by admin on Fri Dec 15 18:54:32 UTC 2023
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352123
Created by
admin on Fri Dec 15 18:54:32 UTC 2023 , Edited by admin on Fri Dec 15 18:54:32 UTC 2023
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PRIMARY |
ACTIVE MOIETY
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD