Details
Stereochemistry | RACEMIC |
Molecular Formula | C21H26ClN3O2S |
Molecular Weight | 419.968 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OCCN1CCN(CCCN2C3=CC(Cl)=CC=C3[S+]([O-])C4=C2C=CC=C4)CC1
InChI
InChIKey=WXJXTMQMAOYROI-UHFFFAOYSA-N
InChI=1S/C21H26ClN3O2S/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)28(21)27)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2
Molecular Formula | C21H26ClN3O2S |
Molecular Weight | 419.968 |
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 08:22:28 GMT 2023
by
admin
on
Sat Dec 16 08:22:28 GMT 2023
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Record UNII |
5S6Q9MQ62M
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Record Status |
Validated (UNII)
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Record Version |
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DTXSID70905735
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10078-25-8
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admin on Sat Dec 16 08:22:28 GMT 2023 , Edited by admin on Sat Dec 16 08:22:28 GMT 2023
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Related Record | Type | Details | ||
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PARENT -> METABOLITE |
MINOR
PLASMA
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Related Record | Type | Details | ||
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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