Details
Stereochemistry | ACHIRAL |
Molecular Formula | C23H16O6.C13H16N2O |
Molecular Weight | 604.6485 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CN1CCCN=C1\C=C\C2=CC(O)=CC=C2.OC(=O)C3=CC4=C(C=CC=C4)C(CC5=C6C=CC=CC6=CC(C(O)=O)=C5O)=C3O
InChI
InChIKey=CCOAINFUFGBHBA-UETGHTDLSA-N
InChI=1S/C23H16O6.C13H16N2O/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2,4-7,10,16H,3,8-9H2,1H3/b;7-6+
Molecular Formula | C13H16N2O |
Molecular Weight | 216.2789 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Molecular Formula | C23H16O6 |
Molecular Weight | 388.3695 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:26:06 UTC 2023
by
admin
on
Fri Dec 15 15:26:06 UTC 2023
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Record UNII |
UPY1D732T0
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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 |
C250
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admin on Fri Dec 15 15:26:06 UTC 2023 , Edited by admin on Fri Dec 15 15:26:06 UTC 2023
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SUB184281
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m8291
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272-332-6
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759296
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5281086
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100000170410
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C037225
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68813-55-8
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1871176
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C90730
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UPY1D732T0
Created by
admin on Fri Dec 15 15:26:06 UTC 2023 , Edited by admin on Fri Dec 15 15:26:06 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |