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Desmethyl Doxepin HCl

CAT: 1596-AR-D02341-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D02341-01Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2887-91-4
Synonyms
3- (dibenzo[b, e]oxepin-11 (6H) -ylidene) -N-methylpropan-1-amine hydrochloride; Nor Doxepin Hydrochloride; 3- (Dibenz[b, e]oxepin-11 (6H) -ylidene) -N-methyl-1-propanamine; ?11 (6H), ?-[3- (Methylamino) propylidene]dibenz[b, e]oxepine Hydrochloride; Desmethyldoxepine Hydrochloride; N-Desmethyldoxepin Hydrochloride
Molecular Formula
C18H19NO. HCl
Molecular Weight
265.36 36.46
API Name
Doxepin

Chemical Information

Desmethyldoxepin hydrochloride
CAS Number2887-91-4
PubChem CID6433350
IUPAC Name(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methylpropan-1-amine;hydrochloride
Molecular FormulaC18H20ClNO
Molecular Weight301.8
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity338
SMILES
CNCC/C=C\1/C2=CC=CC=C2COC3=CC=CC=C31.Cl
InChI
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-;
InChIKey
GNPPEZGJRSOKRE-HYMQDMCPSA-N
Chemical Structure
2D Structure
2D structure of Desmethyldoxepin hydrochloride
CAS: 2887-91-4
CID: 6433350
Formula: C18H20ClNO
MW: 301.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass301.1233420
Monoisotopic Mass301.1233420
Topological Polar Surface Area21.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity338
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
AR-D02342-01N-Desmethyl Doxepin-d3 HCl
AR-D02352-01N-Desmethyl Doxepin-13C-d3 HCl
AR-D02346-01(E) -Doxepin HCl
AR-D02340-01Doxepin-d3 HCl
AR-D07678-01(E) -Doxepin HCl
AR-D07670-01Doxepin-13C-d3 HCl
AR-D02351-01Doxepin-13C-d3 HCl
AR-D02354-01Doxepin Impurity 2 HCl
AR-D07676-01Doxepin Impurity 2 HCl
AR-D02345-01Doxepin EP Impurity C HCl

Alternative Products

CatalogName
TRC-D291427-25MGN-Desmethyl Doxepin-13C3
ZEA69402-01N-Desmethyl (Z) -doxepin hydrochloride
458805-01N-Desmethyl N-Ethyl Doxepin
TRC-D291690-100MGN-Desmethyl (E)-Doxepin Hydrochloride
CS-EO-01251N-Desmethyl N-Nitroso Doxepin
TRC-D291450-50MGN-Desmethyl (Z)-Doxepin Hydrochloride
FD45254-01N-Desmethyl (E) -Doxepin Hydrochloride
CS-O-47993-10MGN-Nitroso-desmethyl- (E) -Doxepin
RM-D241614-01N-Nitroso-Desmethyl-Doxepin, (E)
458806-01N-Desmethyl N-Ethyl Doxepin-d3

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