Details
| Stereochemistry | RACEMIC |
| Molecular Formula | 2C17H23NO.2BrH.H2O |
| Molecular Weight | 694.58 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.Br.Br.[H][C@@]12CC3=C(C=C(O)C=C3)[C@]4(CCCC[C@@]14[H])CCN2C.[H][C@@]56CC7=C(C=C(O)C=C7)[C@]8(CCCC[C@@]58[H])CCN6C
InChI
InChIKey=YJHAKXBQBWSVOL-BYVCFMHPSA-N
InChI=1S/2C17H23NO.2BrH.H2O/c2*1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17;;;/h2*5-6,11,14,16,19H,2-4,7-10H2,1H3;2*1H;1H2/t2*14-,16+,17+;;;/m00.../s1
| 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 | C17H23NO |
| Molecular Weight | 257.3706 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:15:09 UTC 2023
by
admin
on
Sat Dec 16 10:15:09 UTC 2023
|
| Record UNII |
V6H50N056L
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Common Name | English |
| Code System | Code | Type | Description | ||
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5964-68-1
Created by
admin on Sat Dec 16 10:15:09 UTC 2023 , Edited by admin on Sat Dec 16 10:15:09 UTC 2023
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PRIMARY | |||
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121493154
Created by
admin on Sat Dec 16 10:15:09 UTC 2023 , Edited by admin on Sat Dec 16 10:15:09 UTC 2023
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PRIMARY | |||
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V6H50N056L
Created by
admin on Sat Dec 16 10:15:09 UTC 2023 , Edited by admin on Sat Dec 16 10:15:09 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
PARENT -> SALT/SOLVATE | |||
|
ANHYDROUS->SOLVATE |
