Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C17H19NO3.BrH.2H2O |
| Molecular Weight | 402.28 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.Br.[H][C@@]12OC3=C(O)C=CC4=C3[C@@]15CCN(C)[C@]([H])(C4)[C@]5([H])C=C[C@@H]2O
InChI
InChIKey=VIBALKJNEFEVTA-JGHDFLKSSA-N
InChI=1S/C17H19NO3.BrH.2H2O/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;;;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H;2*1H2/t10-,11+,13-,16-,17-;;;/m0.../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 | 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 | C17H19NO3 |
| Molecular Weight | 285.3377 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:51:16 UTC 2023
by
admin
on
Sat Dec 16 18:51:16 UTC 2023
|
| Record UNII |
87LP9D5J54
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
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87LP9D5J54
Created by
admin on Sat Dec 16 18:51:17 UTC 2023 , Edited by admin on Sat Dec 16 18:51:17 UTC 2023
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PRIMARY | |||
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5974-16-3
Created by
admin on Sat Dec 16 18:51:17 UTC 2023 , Edited by admin on Sat Dec 16 18:51:17 UTC 2023
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129654895
Created by
admin on Sat Dec 16 18:51:17 UTC 2023 , Edited by admin on Sat Dec 16 18:51:17 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
PARENT -> SALT/SOLVATE |
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||
|
ANHYDROUS->SOLVATE |
