Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H23NO3.BrH |
| Molecular Weight | 382.292 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Br.C[C@@H](CCC1=CC=C(O)C=C1)NCCC2=CC=C(O)C(O)=C2
InChI
InChIKey=QMCDOYGKCFLHBO-ZOWNYOTGSA-N
InChI=1S/C18H23NO3.BrH/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;/h4-9,12-13,19-22H,2-3,10-11H2,1H3;1H/t13-;/m0./s1
| Molecular Formula | C18H23NO3 |
| Molecular Weight | 301.3801 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| 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
Mon Mar 31 23:42:19 GMT 2025
by
admin
on
Mon Mar 31 23:42:19 GMT 2025
|
| Record UNII |
66Y7F4S2A4
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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Preferred Name | English |
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124220540
Created by
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51153-33-4
Created by
admin on Mon Mar 31 23:42:19 GMT 2025 , Edited by admin on Mon Mar 31 23:42:19 GMT 2025
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66Y7F4S2A4
Created by
admin on Mon Mar 31 23:42:19 GMT 2025 , Edited by admin on Mon Mar 31 23:42:19 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
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RACEMATE -> ENANTIOMER |
