Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C19H28NO3.Br |
Molecular Weight | 398.335 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
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 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 11:30:19 GMT 2023
by
admin
on
Sat Dec 16 11:30:19 GMT 2023
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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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-
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129784-11-8
Created by
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VGB6MN0Z00
Created by
admin on Sat Dec 16 11:30:19 GMT 2023 , Edited by admin on Sat Dec 16 11:30:19 GMT 2023
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9843787
Created by
admin on Sat Dec 16 11:30:19 GMT 2023 , Edited by admin on Sat Dec 16 11:30:19 GMT 2023
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Related Record | Type | Details | ||
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RACEMATE -> ENANTIOMER |
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PARENT -> SALT/SOLVATE |