Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C24H28F3N3O3.C4H6O4 |
| Molecular Weight | 581.5807 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCC(O)=O.COC1=NC2=C(C(C)=C1)C(OC3=CC=CC(=C3)C(F)(F)F)=C(OC)C=C2NC(C)CCCN
InChI
InChIKey=CQBKFGJRAOXYIP-UHFFFAOYSA-N
InChI=1S/C24H28F3N3O3.C4H6O4/c1-14-11-20(32-4)30-22-18(29-15(2)7-6-10-28)13-19(31-3)23(21(14)22)33-17-9-5-8-16(12-17)24(25,26)27;5-3(6)1-2-4(7)8/h5,8-9,11-13,15,29H,6-7,10,28H2,1-4H3;1-2H2,(H,5,6)(H,7,8)
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C271
Created by
admin on Sat Dec 16 05:21:26 UTC 2023 , Edited by admin on Sat Dec 16 05:21:26 UTC 2023
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| Code System | Code | Type | Description | ||
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AB-18
Created by
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135752
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DL5J0B8VSS
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DL5J0B8VSS
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300000044551
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admin on Sat Dec 16 05:21:26 UTC 2023 , Edited by admin on Sat Dec 16 05:21:26 UTC 2023
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C152489
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106635-81-8
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admin on Sat Dec 16 05:21:26 UTC 2023 , Edited by admin on Sat Dec 16 05:21:26 UTC 2023
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m10429
Created by
admin on Sat Dec 16 05:21:26 UTC 2023 , Edited by admin on Sat Dec 16 05:21:26 UTC 2023
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PRIMARY | Merck Index | ||
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CHEMBL298470
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admin on Sat Dec 16 05:21:26 UTC 2023 , Edited by admin on Sat Dec 16 05:21:26 UTC 2023
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DTXSID10910065
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DBSALT002809
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admin on Sat Dec 16 05:21:26 UTC 2023 , Edited by admin on Sat Dec 16 05:21:26 UTC 2023
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163761
Created by
admin on Sat Dec 16 05:21:26 UTC 2023 , Edited by admin on Sat Dec 16 05:21:26 UTC 2023
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2054091
Created by
admin on Sat Dec 16 05:21:26 UTC 2023 , Edited by admin on Sat Dec 16 05:21:26 UTC 2023
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ACTIVE MOIETY
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD