Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C19H28NO3.Br |
| Molecular Weight | 398.335 |
| Optical Activity | UNSPECIFIED |
| 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-POCMBTLOSA-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
Tue Apr 01 16:29:14 GMT 2025
by
admin
on
Tue Apr 01 16:29:14 GMT 2025
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| Record UNII |
VGB6MN0Z00
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| Record Status |
Validated (UNII)
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| Record Version |
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129784-11-8
Created by
admin on Tue Apr 01 16:29:14 GMT 2025 , Edited by admin on Tue Apr 01 16:29:14 GMT 2025
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VGB6MN0Z00
Created by
admin on Tue Apr 01 16:29:14 GMT 2025 , Edited by admin on Tue Apr 01 16:29:14 GMT 2025
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9843787
Created by
admin on Tue Apr 01 16:29:14 GMT 2025 , Edited by admin on Tue Apr 01 16:29:14 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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RACEMATE -> ENANTIOMER |
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PARENT -> SALT/SOLVATE |