Details
Stereochemistry | RACEMIC |
Molecular Formula | C23H31ClN2O3.C4H4O4 |
Molecular Weight | 535.029 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.OCCOCCOCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(Cl)C=C3
InChI
InChIKey=XVIRSZGSFLTRJL-BTJKTKAUSA-N
InChI=1S/C23H31ClN2O3.C4H4O4/c24-22-8-6-21(7-9-22)23(20-4-2-1-3-5-20)26-12-10-25(11-13-26)14-16-28-18-19-29-17-15-27;5-3(6)1-2-4(7)8/h1-9,23,27H,10-19H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
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 | C23H31ClN2O3 |
Molecular Weight | 418.957 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:05:34 GMT 2023
by
admin
on
Fri Dec 15 18:05:34 GMT 2023
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Record UNII |
7P7N107PNA
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Record Status |
Validated (UNII)
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Record Version |
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53859-10-2
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169099
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20838785
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C001197
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7P7N107PNA
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admin on Fri Dec 15 18:05:34 GMT 2023 , Edited by admin on Fri Dec 15 18:05:34 GMT 2023
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258-823-8
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admin on Fri Dec 15 18:05:34 GMT 2023 , Edited by admin on Fri Dec 15 18:05:34 GMT 2023
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100000087478
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SUB02044MIG
Created by
admin on Fri Dec 15 18:05:34 GMT 2023 , Edited by admin on Fri Dec 15 18:05:34 GMT 2023
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Related Record | Type | Details | ||
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ACTIVE MOIETY |