Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C15H21BrN2O.C4H4O4 |
| Molecular Weight | 441.316 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CN(C)[C@H]1CCCC[C@@H]1NC(=O)C2=CC=C(Br)C=C2
InChI
InChIKey=XHCXKGFNPZETQY-YHPCKPBFSA-N
InChI=1S/C15H21BrN2O.C4H4O4/c1-18(2)14-6-4-3-5-13(14)17-15(19)11-7-9-12(16)10-8-11;5-3(6)1-2-4(7)8/h7-10,13-14H,3-6H2,1-2H3,(H,17,19);1-2H,(H,5,6)(H,7,8)/b;2-1-/t13-,14-;/m0./s1
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C241
Created by
admin on Fri Dec 15 16:11:34 UTC 2023 , Edited by admin on Fri Dec 15 16:11:34 UTC 2023
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| Code System | Code | Type | Description | ||
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T-102
Created by
admin on Fri Dec 15 16:11:34 UTC 2023 , Edited by admin on Fri Dec 15 16:11:34 UTC 2023
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C79992
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admin on Fri Dec 15 16:11:34 UTC 2023 , Edited by admin on Fri Dec 15 16:11:34 UTC 2023
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0NLD148UB3
Created by
admin on Fri Dec 15 16:11:34 UTC 2023 , Edited by admin on Fri Dec 15 16:11:34 UTC 2023
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C045811
Created by
admin on Fri Dec 15 16:11:34 UTC 2023 , Edited by admin on Fri Dec 15 16:11:34 UTC 2023
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6435403
Created by
admin on Fri Dec 15 16:11:34 UTC 2023 , Edited by admin on Fri Dec 15 16:11:34 UTC 2023
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81447-81-6
Created by
admin on Fri Dec 15 16:11:34 UTC 2023 , Edited by admin on Fri Dec 15 16:11:34 UTC 2023
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CHEMBL2110893
Created by
admin on Fri Dec 15 16:11:34 UTC 2023 , Edited by admin on Fri Dec 15 16:11:34 UTC 2023
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PRIMARY |
ACTIVE MOIETY
SUBSTANCE RECORD
