Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C18H18N2O.C4H4O4 |
| Molecular Weight | 394.4205 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CN1CCC(CC1)=C2C3=C(OC4=C2C=CC=N4)C=CC=C3
InChI
InChIKey=QXBGSDYYBBNBPB-BTJKTKAUSA-N
InChI=1S/C18H18N2O.C4H4O4/c1-20-11-8-13(9-12-20)17-14-5-2-3-7-16(14)21-18-15(17)6-4-10-19-18;5-3(6)1-2-4(7)8/h2-7,10H,8-9,11-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C319
Created by
admin on Fri Dec 15 15:32:59 UTC 2023 , Edited by admin on Fri Dec 15 15:32:59 UTC 2023
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| Code System | Code | Type | Description | ||
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C74219
Created by
admin on Fri Dec 15 15:32:59 UTC 2023 , Edited by admin on Fri Dec 15 15:32:59 UTC 2023
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39624-65-2
Created by
admin on Fri Dec 15 15:32:59 UTC 2023 , Edited by admin on Fri Dec 15 15:32:59 UTC 2023
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63ISF1PDWX
Created by
admin on Fri Dec 15 15:32:59 UTC 2023 , Edited by admin on Fri Dec 15 15:32:59 UTC 2023
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CHEMBL2110934
Created by
admin on Fri Dec 15 15:32:59 UTC 2023 , Edited by admin on Fri Dec 15 15:32:59 UTC 2023
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295279
Created by
admin on Fri Dec 15 15:32:59 UTC 2023 , Edited by admin on Fri Dec 15 15:32:59 UTC 2023
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5359048
Created by
admin on Fri Dec 15 15:32:59 UTC 2023 , Edited by admin on Fri Dec 15 15:32:59 UTC 2023
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PRIMARY |
ACTIVE MOIETY
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD