Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C20H25ClN2O5.C4H4O4 |
Molecular Weight | 524.948 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CCOC(=O)C1=C(COCCN)NC(C)=C([C@@H]1C2=C(Cl)C=CC=C2)C(=O)OC
InChI
InChIKey=TZNOWAJJWCGILX-HNUXRKMMSA-N
InChI=1S/C20H25ClN2O5.C4H4O4/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;5-3(6)1-2-4(7)8/h5-8,17,23H,4,9-11,22H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t17-;/m0./s1
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 |
Molecular Formula | C20H25ClN2O5 |
Molecular Weight | 408.876 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:19:32 UTC 2023
by
admin
on
Fri Dec 15 16:19:32 UTC 2023
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Record UNII |
12WW9T2ITA
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Record Status |
Validated (UNII)
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Record Version |
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-
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135969-53-8
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DTXSID801027742
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SUB125921
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C175110
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2377031
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HI-46
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12WW9T2ITA
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100000151631
Created by
admin on Fri Dec 15 16:19:32 UTC 2023 , Edited by admin on Fri Dec 15 16:19:32 UTC 2023
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69165622
Created by
admin on Fri Dec 15 16:19:32 UTC 2023 , Edited by admin on Fri Dec 15 16:19:32 UTC 2023
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12WW9T2ITA
Created by
admin on Fri Dec 15 16:19:32 UTC 2023 , Edited by admin on Fri Dec 15 16:19:32 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE | |||
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RACEMATE -> ENANTIOMER |
Related Record | Type | Details | ||
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ACTIVE MOIETY |