Details
Stereochemistry | RACEMIC |
Molecular Formula | C20H25ClN2O5.C6H10O4 |
Molecular Weight | 555.017 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCCCC(O)=O.CCOC(=O)C1=C(COCCN)NC(C)=C(C1C2=C(Cl)C=CC=C2)C(=O)OC
InChI
InChIKey=BGXVCBNVNUORTP-UHFFFAOYSA-N
InChI=1S/C20H25ClN2O5.C6H10O4/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;7-5(8)3-1-2-4-6(9)10/h5-8,17,23H,4,9-11,22H2,1-3H3;1-4H2,(H,7,8)(H,9,10)
Molecular Formula | C20H25ClN2O5 |
Molecular Weight | 408.876 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Molecular Formula | C6H10O4 |
Molecular Weight | 146.1412 |
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
Sat Dec 16 13:31:06 UTC 2023
by
admin
on
Sat Dec 16 13:31:06 UTC 2023
|
Record UNII |
3I0OF3W3E4
|
Record Status |
Validated (UNII)
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Record Version |
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-
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3I0OF3W3E4
Created by
admin on Sat Dec 16 13:31:06 UTC 2023 , Edited by admin on Sat Dec 16 13:31:06 UTC 2023
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9850652
Created by
admin on Sat Dec 16 13:31:06 UTC 2023 , Edited by admin on Sat Dec 16 13:31:06 UTC 2023
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526216-43-3
Created by
admin on Sat Dec 16 13:31:06 UTC 2023 , Edited by admin on Sat Dec 16 13:31:06 UTC 2023
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100000177582
Created by
admin on Sat Dec 16 13:31:06 UTC 2023 , Edited by admin on Sat Dec 16 13:31:06 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |