U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C18H19NO
Molecular Weight 265.3496
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

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

SMILES

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

InChI

InChIKey=HVKCEFHNSNZIHO-MHWRWJLKSA-N
InChI=1S/C18H19NO/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/b16-10+

HIDE SMILES / InChI

Molecular Formula C18H19NO
Molecular Weight 265.3496
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 Fri Dec 15 18:17:36 UTC 2023
Edited
by admin
on Fri Dec 15 18:17:36 UTC 2023
Record UNII
J7JTC0A5D6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESMETHYLDOXEPIN, (E)-
Common Name English
TRANS-DESMETHYLDOXEPIN
Common Name English
1-PROPANAMINE, 3-DIBENZ(B,E)OXEPIN-11(6H)-YLIDENE-N-METHYL-, (3E)-
Systematic Name English
(E)-3-(DIBENZO(B,E)OXEPIN-11(6H)-YLIDENE)-N-METHYLPROPAN-1-AMINE
Systematic Name English
DOXEPIN HYDROCHLORIDE IMPURITY C [EP IMPURITY]
Common Name English
DOXEPIN IMPURITY C
Common Name English
(E)-DESMETHYLDOXEPIN
Common Name English
1-PROPANAMINE, 3-DIBENZ(B,E)OXEPIN-11(6H)-YLIDENE-N-METHYL-, (E)-
Systematic Name English
Code System Code Type Description
PUBCHEM
6433351
Created by admin on Fri Dec 15 18:17:37 UTC 2023 , Edited by admin on Fri Dec 15 18:17:37 UTC 2023
PRIMARY
FDA UNII
J7JTC0A5D6
Created by admin on Fri Dec 15 18:17:37 UTC 2023 , Edited by admin on Fri Dec 15 18:17:37 UTC 2023
PRIMARY
EPA CompTox
DTXSID60217319
Created by admin on Fri Dec 15 18:17:37 UTC 2023 , Edited by admin on Fri Dec 15 18:17:37 UTC 2023
PRIMARY
CAS
67035-76-1
Created by admin on Fri Dec 15 18:17:37 UTC 2023 , Edited by admin on Fri Dec 15 18:17:37 UTC 2023
PRIMARY
CHEBI
142340
Created by admin on Fri Dec 15 18:17:37 UTC 2023 , Edited by admin on Fri Dec 15 18:17:37 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP