Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C24H27N.C4H4O4 |
Molecular Weight | 445.55 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.C([C@@H]1CCC=C(C1)C2=CC=CC=C2)N3CCC(=CC3)C4=CC=CC=C4
InChI
InChIKey=UGSOIMHAQBCDQP-OMADMNBESA-N
InChI=1S/C24H27N.C4H4O4/c1-3-9-21(10-4-1)23-14-16-25(17-15-23)19-20-8-7-13-24(18-20)22-11-5-2-6-12-22;5-3(6)1-2-4(7)8/h1-6,9-14,20H,7-8,15-19H2;1-2H,(H,5,6)(H,7,8)/b;2-1-/t20-;/m1./s1
Molecular Formula | C24H27N |
Molecular Weight | 329.4779 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:57:50 GMT 2023
by
admin
on
Fri Dec 15 15:57:50 GMT 2023
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Record UNII |
B8SI40Y3SQ
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Record Status |
Validated (UNII)
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Record Version |
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10456184
Created by
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B8SI40Y3SQ
Created by
admin on Fri Dec 15 15:57:50 GMT 2023 , Edited by admin on Fri Dec 15 15:57:50 GMT 2023
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178555-05-0
Created by
admin on Fri Dec 15 15:57:50 GMT 2023 , Edited by admin on Fri Dec 15 15:57:50 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |