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Details

Stereochemistry RACEMIC
Molecular Formula C20H27NO.ClH
Molecular Weight 333.895
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LY-042826

SMILES

Cl.CCCCNCCOC(C1=CC=CC=C1)C2=CC=CC=C2C

InChI

InChIKey=TYGSZXNIGPONOX-UHFFFAOYSA-N
InChI=1S/C20H27NO.ClH/c1-3-4-14-21-15-16-22-20(18-11-6-5-7-12-18)19-13-9-8-10-17(19)2;/h5-13,20-21H,3-4,14-16H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula C20H27NO
Molecular Weight 297.4345
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
SO9TR56P3C
Record Status Validated (UNII)
Record Version