Details
Stereochemistry | RACEMIC |
Molecular Formula | C20H24N2.C4H4O4 |
Molecular Weight | 408.4901 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CC(C1=C(CCN(C)C)CC2=C1C=CC=C2)C3=CC=CC=N3
InChI
InChIKey=SWECWXGUJQLXJF-BTJKTKAUSA-N
InChI=1S/C20H24N2.C4H4O4/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20;5-3(6)1-2-4(7)8/h4-10,12,15H,11,13-14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
Molecular Formula | C20H24N2 |
Molecular Weight | 292.418 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Molecular Formula | C4H4O4 |
Molecular Weight | 116.0722 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:47:30 UTC 2023
by
admin
on
Fri Dec 15 16:47:30 UTC 2023
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Record UNII |
6LL60J9E0O
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C29578
Created by
admin on Fri Dec 15 16:47:31 UTC 2023 , Edited by admin on Fri Dec 15 16:47:31 UTC 2023
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Code System | Code | Type | Description | ||
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107677
Created by
admin on Fri Dec 15 16:47:31 UTC 2023 , Edited by admin on Fri Dec 15 16:47:31 UTC 2023
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PRIMARY | |||
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258334
Created by
admin on Fri Dec 15 16:47:31 UTC 2023 , Edited by admin on Fri Dec 15 16:47:31 UTC 2023
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PRIMARY | RxNorm | ||
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CHEMBL22108
Created by
admin on Fri Dec 15 16:47:31 UTC 2023 , Edited by admin on Fri Dec 15 16:47:31 UTC 2023
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222-789-2
Created by
admin on Fri Dec 15 16:47:31 UTC 2023 , Edited by admin on Fri Dec 15 16:47:31 UTC 2023
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6LL60J9E0O
Created by
admin on Fri Dec 15 16:47:31 UTC 2023 , Edited by admin on Fri Dec 15 16:47:31 UTC 2023
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3614-69-5
Created by
admin on Fri Dec 15 16:47:31 UTC 2023 , Edited by admin on Fri Dec 15 16:47:31 UTC 2023
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C76674
Created by
admin on Fri Dec 15 16:47:31 UTC 2023 , Edited by admin on Fri Dec 15 16:47:31 UTC 2023
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DBSALT000908
Created by
admin on Fri Dec 15 16:47:31 UTC 2023 , Edited by admin on Fri Dec 15 16:47:31 UTC 2023
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m4508
Created by
admin on Fri Dec 15 16:47:31 UTC 2023 , Edited by admin on Fri Dec 15 16:47:31 UTC 2023
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5282414
Created by
admin on Fri Dec 15 16:47:31 UTC 2023 , Edited by admin on Fri Dec 15 16:47:31 UTC 2023
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100000087512
Created by
admin on Fri Dec 15 16:47:31 UTC 2023 , Edited by admin on Fri Dec 15 16:47:31 UTC 2023
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SUB01754MIG
Created by
admin on Fri Dec 15 16:47:31 UTC 2023 , Edited by admin on Fri Dec 15 16:47:31 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |