Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H24N2O2.2BrH.3H2O |
| Molecular Weight | 540.286 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.Br.Br.[H][C@]1(C[C@@H]2CCN1C[C@@H]2C=C)[C@H](O)C3=C4C=C(OC)C=CC4=NC=C3
InChI
InChIKey=HQWBWOCBZJFIJL-YHKMUBIUSA-N
InChI=1S/C20H24N2O2.2BrH.3H2O/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;;;;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2*1H;3*1H2/t13-,14-,19-,20+;;;;;/m0...../s1
| Molecular Formula | C20H24N2O2 |
| Molecular Weight | 324.4168 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | BrH |
| Molecular Weight | 80.912 |
| 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 02:03:43 UTC 2023
by
admin
on
Sat Dec 16 02:03:43 UTC 2023
|
| Record UNII |
D7WN8V134E
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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71586869
Created by
admin on Sat Dec 16 02:03:43 UTC 2023 , Edited by admin on Sat Dec 16 02:03:43 UTC 2023
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6119-41-1
Created by
admin on Sat Dec 16 02:03:43 UTC 2023 , Edited by admin on Sat Dec 16 02:03:43 UTC 2023
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D7WN8V134E
Created by
admin on Sat Dec 16 02:03:43 UTC 2023 , Edited by admin on Sat Dec 16 02:03:43 UTC 2023
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DTXSID40976699
Created by
admin on Sat Dec 16 02:03:43 UTC 2023 , Edited by admin on Sat Dec 16 02:03:43 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
