Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C18H19ClN2.C4H4O4 |
| Molecular Weight | 414.882 |
| 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)=C(C2=CC=C(Cl)C=C2)C3=CC=CC=N3
InChI
InChIKey=KJSKCUMUVXPETM-BTJKTKAUSA-N
InChI=1S/C18H19ClN2.C4H4O4/c1-21-12-9-15(10-13-21)18(17-4-2-3-11-20-17)14-5-7-16(19)8-6-14;5-3(6)1-2-4(7)8/h2-8,11H,9-10,12-13H2,1H3;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 |
C29578
Created by
admin on Fri Dec 15 15:07:35 UTC 2023 , Edited by admin on Fri Dec 15 15:07:35 UTC 2023
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| Code System | Code | Type | Description | ||
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70933
Created by
admin on Fri Dec 15 15:07:35 UTC 2023 , Edited by admin on Fri Dec 15 15:07:35 UTC 2023
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C65355
Created by
admin on Fri Dec 15 15:07:35 UTC 2023 , Edited by admin on Fri Dec 15 15:07:35 UTC 2023
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5781-37-3
Created by
admin on Fri Dec 15 15:07:35 UTC 2023 , Edited by admin on Fri Dec 15 15:07:35 UTC 2023
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5357113
Created by
admin on Fri Dec 15 15:07:35 UTC 2023 , Edited by admin on Fri Dec 15 15:07:35 UTC 2023
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PRIMARY | |||
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J542BCR0IQ
Created by
admin on Fri Dec 15 15:07:35 UTC 2023 , Edited by admin on Fri Dec 15 15:07:35 UTC 2023
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PRIMARY | |||
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CHEMBL1618128
Created by
admin on Fri Dec 15 15:07:35 UTC 2023 , Edited by admin on Fri Dec 15 15:07:35 UTC 2023
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PRIMARY |
ACTIVE MOIETY
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD
