Details
Stereochemistry | RACEMIC |
Molecular Formula | C20H25ClN2O5.CH4O3S.H2O |
Molecular Weight | 522.997 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CS(O)(=O)=O.CCOC(=O)C1=C(COCCN)NC(C)=C(C1C2=C(Cl)C=CC=C2)C(=O)OC
InChI
InChIKey=LGWOIMCQWJLZIT-UHFFFAOYSA-N
InChI=1S/C20H25ClN2O5.CH4O3S.H2O/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;1-5(2,3)4;/h5-8,17,23H,4,9-11,22H2,1-3H3;1H3,(H,2,3,4);1H2
Molecular Formula | H2O |
Molecular Weight | 18.0153 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | CH4O3S |
Molecular Weight | 96.106 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
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 | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:50:56 UTC 2023
by
admin
on
Fri Dec 15 18:50:56 UTC 2023
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Record UNII |
FAS0DJC51V
|
Record Status |
Validated (UNII)
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Record Version |
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-
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FAS0DJC51V
Created by
admin on Fri Dec 15 18:50:56 UTC 2023 , Edited by admin on Fri Dec 15 18:50:56 UTC 2023
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440358-84-9
Created by
admin on Fri Dec 15 18:50:56 UTC 2023 , Edited by admin on Fri Dec 15 18:50:56 UTC 2023
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100000089435
Created by
admin on Fri Dec 15 18:50:56 UTC 2023 , Edited by admin on Fri Dec 15 18:50:56 UTC 2023
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SUB25410
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9892976
Created by
admin on Fri Dec 15 18:50:56 UTC 2023 , Edited by admin on Fri Dec 15 18:50:56 UTC 2023
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Related Record | Type | Details | ||
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |