Compound Summary


  Compound Information
 Doxepin Hydrochloride

Compound Name:

Doxepin Hydrochloride

Compound CID:

6419921

Synonyms:

Doxepin Hydrochloride

1229-29-4

Doxepin HCl

(e)-doxepin hydrochloride

UNII-CU61C5RH24

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Iupac Name:

(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride

InChI:

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+;

InChIKey:

MHNSPTUQQIYJOT-SJDTYFKWSA-N

Canonical Smiles:

CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31.Cl

Isomeric Smiles:

CN(C)CC/C=C/1\C2=CC=CC=C2COC3=CC=CC=C31.Cl

Molecular Weight:

315.8

Molecular Formula:

C19H22ClNO

  Compound Structure
 2D Structure:
 3D Structure:
  Computed Properties
 Doxepin Hydrochloride

Molecular Weight:

315.8

Molecular Formula:

C19H22ClNO

Hydrogen Bond Donor Count:

1

Hydrogen Bond Acceptor Count:

2

Rotatable Bond Count:

3

Heavy Atom Count:

22

Complexity:

363

  Synonyms
 Doxepin Hydrochloride

  Experimental Data
 Doxepin Hydrochloride

  Experimental Data Visualization
 Doxepin Hydrochloride

  Statistics Data
 Doxepin Hydrochloride

  Statistics Data Visualization
 Doxepin Hydrochloride