Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C23H30ClN3O.2CH4O3S |
| Molecular Weight | 592.168 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.CS(O)(=O)=O.CCN(CC)CCCC(C)NC1=C2C=C(OC)C=CC2=NC3=CC(Cl)=CC=C13
InChI
InChIKey=BSSDNUXUOKRRHO-UHFFFAOYSA-N
InChI=1S/C23H30ClN3O.2CH4O3S/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23;2*1-5(2,3)4/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26);2*1H3,(H,2,3,4)
| Molecular Formula | C23H30ClN3O |
| Molecular Weight | 399.957 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:46:24 GMT 2025
by
admin
on
Mon Mar 31 22:46:24 GMT 2025
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| Record UNII |
XDY6I25JPB
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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206-256-1
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DTXSID40953561
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316-05-2
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admin on Mon Mar 31 22:46:24 GMT 2025 , Edited by admin on Mon Mar 31 22:46:24 GMT 2025
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23616783
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admin on Mon Mar 31 22:46:24 GMT 2025 , Edited by admin on Mon Mar 31 22:46:24 GMT 2025
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XDY6I25JPB
Created by
admin on Mon Mar 31 22:46:24 GMT 2025 , Edited by admin on Mon Mar 31 22:46:24 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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SOLVATE->ANHYDROUS |