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Details

Stereochemistry ACHIRAL
Molecular Formula C18H19NO.ClH
Molecular Weight 301.811
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DESMETHYLDOXEPIN HYDROCHLORIDE, (E)-

SMILES

Cl.CNCC\C=C1\C2=CC=CC=C2OCC3=C1C=CC=C3

InChI

InChIKey=GNPPEZGJRSOKRE-QFHYWFJHSA-N
InChI=1S/C18H19NO.ClH/c1-19-12-6-10-16-15-8-3-2-7-14(15)13-20-18-11-5-4-9-17(16)18;/h2-5,7-11,19H,6,12-13H2,1H3;1H/b16-10+;

HIDE SMILES / InChI

Approval Year

Name Type Language
DESMETHYLDOXEPIN HYDROCHLORIDE, (E)-
Common Name English
1-PROPANAMINE, 3-DIBENZ(B,E)OXEPIN-11(6H)-YLIDENE-N-METHYL-, HYDROCHLORIDE (1:1), (3E)-
Common Name English
DOXEPIN RELATED COMPOUND C [USP-RS]
Common Name English
DOXEPIN RELATED COMPOUND C
USP-RS  
Common Name English
1-PROPANAMINE, 3-DIBENZ(B,E)OXEPIN-11(6H)-YLIDENE-N-METHYL-, HYDROCHLORIDE, (E)-
Systematic Name English
Code System Code Type Description
FDA UNII
4VQL417S2G
Created by admin on Sat Dec 16 05:27:24 UTC 2023 , Edited by admin on Sat Dec 16 05:27:24 UTC 2023
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CAS
4504-96-5
Created by admin on Sat Dec 16 05:27:24 UTC 2023 , Edited by admin on Sat Dec 16 05:27:24 UTC 2023
PRIMARY
PUBCHEM
6506545
Created by admin on Sat Dec 16 05:27:24 UTC 2023 , Edited by admin on Sat Dec 16 05:27:24 UTC 2023
PRIMARY
EPA CompTox
DTXSID30196369
Created by admin on Sat Dec 16 05:27:24 UTC 2023 , Edited by admin on Sat Dec 16 05:27:24 UTC 2023
PRIMARY