Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C21H24BrN3O3S.2CH4O3S.H2O |
| Molecular Weight | 688.629 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CS(O)(=O)=O.CS(O)(=O)=O.COC1=CC2=C(C=C1)N(C=C2CN3CCN(C)CC3)S(=O)(=O)C4=CC=CC=C4Br
InChI
InChIKey=XKDCUJBWVGDNSH-UHFFFAOYSA-N
InChI=1S/C21H24BrN3O3S.2CH4O3S.H2O/c1-23-9-11-24(12-10-23)14-16-15-25(20-8-7-17(28-2)13-18(16)20)29(26,27)21-6-4-3-5-19(21)22;2*1-5(2,3)4;/h3-8,13,15H,9-12,14H2,1-2H3;2*1H3,(H,2,3,4);1H2
| 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 | C21H24BrN3O3S |
| Molecular Weight | 478.403 |
| 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 12:51:04 GMT 2023
by
admin
on
Sat Dec 16 12:51:04 GMT 2023
|
| Record UNII |
9816MUD84T
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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DBSALT002613
Created by
admin on Sat Dec 16 12:51:04 GMT 2023 , Edited by admin on Sat Dec 16 12:51:04 GMT 2023
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1791396-45-6
Created by
admin on Sat Dec 16 12:51:04 GMT 2023 , Edited by admin on Sat Dec 16 12:51:04 GMT 2023
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91809235
Created by
admin on Sat Dec 16 12:51:04 GMT 2023 , Edited by admin on Sat Dec 16 12:51:04 GMT 2023
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9816MUD84T
Created by
admin on Sat Dec 16 12:51:04 GMT 2023 , Edited by admin on Sat Dec 16 12:51:04 GMT 2023
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PRIMARY |
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