Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C19H28NO3.Br |
| Molecular Weight | 398.335 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 2 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Br-].C[N+]1(C)CC[C@H](C1)OC(=O)[C@@](O)(C2CCCC2)C3=CC=CC=C3
InChI
InChIKey=VPNYRYCIDCJBOM-ZFNKBKEPSA-M
InChI=1S/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1/t17-,19+;/m1./s1
| 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 | C19H27NO3 |
| Molecular Weight | 317.4226 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:44:47 GMT 2025
by
admin
on
Mon Mar 31 18:44:47 GMT 2025
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| Record UNII |
9SFK0PX55W
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| Record Status |
Validated (UNII)
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| Record Version |
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Preferred Name | English | ||
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C90701
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PRIMARY | |||
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DTXSID50974040
Created by
admin on Mon Mar 31 18:44:47 GMT 2025 , Edited by admin on Mon Mar 31 18:44:47 GMT 2025
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PRIMARY | |||
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9SFK0PX55W
Created by
admin on Mon Mar 31 18:44:47 GMT 2025 , Edited by admin on Mon Mar 31 18:44:47 GMT 2025
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PRIMARY | |||
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53808-86-9
Created by
admin on Mon Mar 31 18:44:47 GMT 2025 , Edited by admin on Mon Mar 31 18:44:47 GMT 2025
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SUPERSEDED | |||
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58493-54-2
Created by
admin on Mon Mar 31 18:44:47 GMT 2025 , Edited by admin on Mon Mar 31 18:44:47 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ENANTIOMER -> RACEMATE | |||
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ENANTIOMER -> RACEMATE |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |