ChemicalBook--->CAS DataBase List--->4504-88-5

4504-88-5

4504-88-5 Structure

4504-88-5 Structure
IdentificationBack Directory
[Name]

11-[3-(dimethylamino)propyl]-6,11-dihydrodibenz[b,e]oxepin-11-ol
[CAS]

4504-88-5
[Synonyms]

Doxepinol
Doxepin EP Impurity B
Doxepin USP Related Compound B
Doxepin Hydrochloride impurity B
Doxepin Hydrochloride EP Impurity B
(11RS)-11-[3-(Dimethylamino)-propyl
Doxepin Impurity 2(Doxepin EP Impurity B)
Doxepin EP Impurity B (Doxepinol)(USP RC B)
11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzoxepin-11-ol
Doxepin EP Impurity B/ Doxepin Related Compound B (Doxepinol)
11-[3-(dimethylamino)propyl]-6,11-dihydrodibenz[b,e]oxepin-11-ol
11-[3-(DiMethylaMino)propyl]-6,11-dihydrocibenz[b,e]oxepin-11-ol
Dibenz[b,e]oxepin-11-ol, 11-[3-(dimethylamino)propyl]-6,11-dihydro-
Doxepin Related Compound B (50 mg) ((11RS)-11-[3-(dimethylamino)propyl]-6,11-dihydrodibenzo[b,e]oxepin-11-ol)
Doxepin Related Compound B ((11RS)-11-[3-(dimethylamino)propyl]-6,11-dihydrodibenzo[b,e]oxepin-11-o (1225522)
[EINECS(EC#)]

224-821-0
[Molecular Formula]

C19H23NO2
[MOL File]

4504-88-5.mol
[Molecular Weight]

297.39
Chemical PropertiesBack Directory
[Melting point ]

114 - 118°C
[Boiling point ]

439.2±45.0 °C(Predicted)
[density ]

1.123±0.06 g/cm3(Predicted)
[storage temp. ]

Refrigerator, under inert atmosphere
[solubility ]

Acetonitrile (Slightly), Chloroform (Slightly)
[form ]

Solid
[pka]

13.58±0.20(Predicted)
[color ]

White to Pale Yellow
[Major Application]

pharmaceutical (small molecule)
[InChI]

1S/C19H23NO2/c1-20(2)13-7-12-19(21)16-9-4-3-8-15(16)14-22-18-11-6-5-10-17(18)19/h3-6,8-11,21H,7,12-14H2,1-2H3
[InChIKey]

ZEKLFUWSVQYTOO-UHFFFAOYSA-N
[SMILES]

N(CCCC1(c2c(cccc2)OCc3c1cccc3)O)(C)C
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
[WGK Germany ]

WGK 3
[HS Code ]

2932996560
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

11-[3-(Dimethylamino)propyl]-6,11-dihydrocibenz[b,e]oxepin-11-ol is an impurity in the synthesis of Doxepin (D550000), used clinically to treat anxiety and depression. Doxepin is an antidepressant.
Spectrum DetailBack Directory
[Spectrum Detail]

11-[3-(dimethylamino)propyl]-6,11-dihydrodibenz[b,e]oxepin-11-ol(4504-88-5)1HNMR
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