Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H25ClN2O5.C6H6O3S.2H2O |
| Molecular Weight | 603.082 |
| Optical Activity | ( - ) |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.OS(=O)(=O)C1=CC=CC=C1.CCOC(=O)C2=C(COCCN)NC(C)=C([C@@H]2C3=C(Cl)C=CC=C3)C(=O)OC
InChI
InChIKey=CXOUVSIRCRQEOE-FCQHKQNSSA-N
InChI=1S/C20H25ClN2O5.C6H6O3S.2H2O/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;7-10(8,9)6-4-2-1-3-5-6;;/h5-8,17,23H,4,9-11,22H2,1-3H3;1-5H,(H,7,8,9);2*1H2/t17-;;;/m0.../s1
| 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 | ( - ) |
| Molecular Formula | C6H6O3S |
| Molecular Weight | 158.175 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:01:06 UTC 2023
by
admin
on
Sat Dec 16 19:01:06 UTC 2023
|
| Record UNII |
6WFN2P6FAQ
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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| Code System | Code | Type | Description | ||
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100000174489
Created by
admin on Sat Dec 16 19:01:07 UTC 2023 , Edited by admin on Sat Dec 16 19:01:07 UTC 2023
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PRIMARY | |||
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11592465
Created by
admin on Sat Dec 16 19:01:07 UTC 2023 , Edited by admin on Sat Dec 16 19:01:07 UTC 2023
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PRIMARY | |||
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6WFN2P6FAQ
Created by
admin on Sat Dec 16 19:01:07 UTC 2023 , Edited by admin on Sat Dec 16 19:01:07 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ANHYDROUS->SOLVATE |
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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