Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C23H30ClN3O.2CH4O3S.H2O |
| Molecular Weight | 610.183 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CS(O)(=O)=O.CS(O)(=O)=O.CCN(CC)CCCC(C)NC1=C2C=CC(Cl)=CC2=NC3=C1C=C(OC)C=C3
InChI
InChIKey=GNXWYZSPEXSUNH-UHFFFAOYSA-N
InChI=1S/C23H30ClN3O.2CH4O3S.H2O/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);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 | C23H30ClN3O |
| Molecular Weight | 399.957 |
| 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
Sat Dec 16 08:02:05 GMT 2023
by
admin
on
Sat Dec 16 08:02:05 GMT 2023
|
| Record UNII |
2U4284400I
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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| Code System | Code | Type | Description | ||
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2U4284400I
Created by
admin on Sat Dec 16 08:02:05 GMT 2023 , Edited by admin on Sat Dec 16 08:02:05 GMT 2023
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PRIMARY | |||
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72710657
Created by
admin on Sat Dec 16 08:02:05 GMT 2023 , Edited by admin on Sat Dec 16 08:02:05 GMT 2023
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6598-46-5
Created by
admin on Sat Dec 16 08:02:05 GMT 2023 , Edited by admin on Sat Dec 16 08:02:05 GMT 2023
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m9430
Created by
admin on Sat Dec 16 08:02:05 GMT 2023 , Edited by admin on Sat Dec 16 08:02:05 GMT 2023
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PRIMARY | Merck Index |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
