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Details

Stereochemistry ACHIRAL
Molecular Formula C19H21NO.ClH
Molecular Weight 315.837
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [DOXEPIN HYDROCHLORIDE]

SMILES

Cl.CN(C)CCC=C1C2=C(COC3=C1C=CC=C3)C=CC=C2

InChI

InChIKey=MHNSPTUQQIYJOT-SJDTYFKWSA-N
InChI=1S/C19H21NO.ClH/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19;/h3-6,8-12H,7,13-14H2,1-2H3;1H/b17-11+;

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H21NO
Molecular Weight 279.3761
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 13:54:35 GMT 2025
Edited
by admin
on Wed Apr 02 13:54:35 GMT 2025
Record UNII
3U9A0FE9N5
Record Status alternative
Record Version
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Primary Definition