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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, (Z)-

SMILES

Cl.CNCC\C=C1\C2=CC=CC=C2COC3=CC=CC=C13

InChI

InChIKey=GNPPEZGJRSOKRE-HYMQDMCPSA-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

Unknown
86413
Name Type Language
DESMETHYLDOXEPIN HYDROCHLORIDE, (Z)-
Common Name English
1-PROPANAMINE, 3-DIBENZ(B,E)OXEPIN-11(6H)-YLIDENE-N-METHYL-, HYDROCHLORIDE (1:1), (3Z)-
Common Name English
1-PROPANAMINE, 3-DIBENZ(B,E)OXEPIN-11(6H)-YLIDENE-N-METHYL-, HYDROCHLORIDE, (Z)-
Systematic Name English
Code System Code Type Description
PUBCHEM
6433350
Created by admin on Sat Dec 16 04:59:28 UTC 2023 , Edited by admin on Sat Dec 16 04:59:28 UTC 2023
PRIMARY
EPA CompTox
DTXSID10154462
Created by admin on Sat Dec 16 04:59:28 UTC 2023 , Edited by admin on Sat Dec 16 04:59:28 UTC 2023
PRIMARY
CAS
124694-02-6
Created by admin on Sat Dec 16 04:59:28 UTC 2023 , Edited by admin on Sat Dec 16 04:59:28 UTC 2023
PRIMARY
FDA UNII
ZII8992NO2
Created by admin on Sat Dec 16 04:59:28 UTC 2023 , Edited by admin on Sat Dec 16 04:59:28 UTC 2023
PRIMARY
NIH
NCATS
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