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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 DOXEPIN HYDROCHLORIDE, (E)-

SMILES

Cl.CN(C)CC\C=C1/C2=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 Fri Dec 15 17:46:30 UTC 2023
Edited
by admin
on Fri Dec 15 17:46:30 UTC 2023
Record UNII
CU61C5RH24
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DOXEPIN HYDROCHLORIDE, (E)-
Common Name English
1-PROPANAMINE, 3-DIBENZ(B,E)OXEPIN-11(6H)-YLIDENE-N,N-DIMETHYL-, HYDROCHLORIDE (1:1), (3E)-
Common Name English
E-DOXEPIN HYDROCHLORIDE
Common Name English
Code System Code Type Description
PUBCHEM
6419921
Created by admin on Fri Dec 15 17:46:30 UTC 2023 , Edited by admin on Fri Dec 15 17:46:30 UTC 2023
PRIMARY
FDA UNII
CU61C5RH24
Created by admin on Fri Dec 15 17:46:30 UTC 2023 , Edited by admin on Fri Dec 15 17:46:30 UTC 2023
PRIMARY
CAS
4698-39-9
Created by admin on Fri Dec 15 17:46:30 UTC 2023 , Edited by admin on Fri Dec 15 17:46:30 UTC 2023
PRIMARY
Related Record Type Details
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SUBSTANCE->BASIS OF STRENGTH