Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C21H31NO4.BrH |
| Molecular Weight | 442.387 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Br.CCOC(=O)C1(CCN(CCOCC2CCCO2)CC1)C3=CC=CC=C3
InChI
InChIKey=IELNNGUCVWOWDZ-UHFFFAOYSA-N
InChI=1S/C21H31NO4.BrH/c1-2-25-20(23)21(18-7-4-3-5-8-18)10-12-22(13-11-21)14-16-24-17-19-9-6-15-26-19;/h3-5,7-8,19H,2,6,9-17H2,1H3;1H
| Molecular Formula | C21H31NO4 |
| Molecular Weight | 361.4751 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| 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 23:39:23 GMT 2025
by
admin
on
Mon Mar 31 23:39:23 GMT 2025
|
| Record UNII |
X8ZF5B5HF0
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Preferred Name | English |
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X8ZF5B5HF0
Created by
admin on Mon Mar 31 23:39:23 GMT 2025 , Edited by admin on Mon Mar 31 23:39:23 GMT 2025
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PRIMARY | |||
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165411900
Created by
admin on Mon Mar 31 23:39:23 GMT 2025 , Edited by admin on Mon Mar 31 23:39:23 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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SALT/SOLVATE -> PARENT |
