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
Approval Year
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X8ZF5B5HF0
Created by
admin on Sat Dec 16 11:08:13 UTC 2023 , Edited by admin on Sat Dec 16 11:08:13 UTC 2023
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165411900
Created by
admin on Sat Dec 16 11:08:13 UTC 2023 , Edited by admin on Sat Dec 16 11:08:13 UTC 2023
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PRIMARY |
SALT/SOLVATE (PARENT)
SUBSTANCE RECORD