2887-91-4

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2887-91-4 Structure

Identification	Back Directory
[Name] 11[6H]-[3-(METHYLAMINO)PROPYLIDENE]DIBENZ[B,E]OXEPINE HYDROCHLORIDE
[CAS] 2887-91-4
[Synonyms] Desmethyldoxepin HCl N-DesMethyl Doxepin HCl NORDOXEPIN HYDROCHLORIDE N-DesMethyldoxepin Hydrochloride Desmethyldoxepin (hydrochloride) N-DesMethyldoxepin-d3 Hydrochloride 3-(Dibenz[b,e]oxepin-11(6H)-ylidene)-N-Methyl- 11(6h)-(3-[methylamino]propylidene)dibenz[b,e]oxepine 11[6H]-[3-(METHYLAMINO)PROPYLIDENE]DIBENZ[B,E]OXEPINE HYDROCHLORIDE 1-Propanamine, 3-dibenzb,eoxepin-11(6H)-ylidene-N-methyl-, hydrochloride
[Molecular Formula] C18H20ClNO
[MDL Number] MFCD00135797
[MOL File] 2887-91-4.mol
[Molecular Weight] 301.81

Chemical Properties	Back Directory
[Appearance] White To Off-White Powder
[Melting point ] 159-160°C
[storage temp. ] -20°C Freezer
[solubility ] DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 15 mg/ml; PBS (pH 7.2): 1 mg/ml
[form ] powder
[color ] white to off-white
[Major Application] forensics and toxicology pharmaceutical (small molecule)
[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-QFHYWFJHSA-N
[SMILES] C1(=C/CCNC)\C2C=CC=CC=2OCC2C=CC=CC\1=2.Cl

Hazard Information	Back Directory
[Chemical Properties] White To Off-White Powder
[Uses] A metabolite of Doxepin (D550000).
[Biological Activity] Doxepin metabolite.

Safety Data	Back Directory
[Hazard Codes ] Xn,N
[Risk Statements ] 22-50/53
[Safety Statements ] 60-61
[RIDADR ] UN 3077 9 / PGIII
[WGK Germany ] 3
[HS Code ] 2932996560
[Storage Class] 11 - Combustible Solids

Spectrum Detail	Back Directory
[Spectrum Detail] 11[6H]-[3-(METHYLAMINO)PROPYLIDENE]DIBENZ[B,E]OXEPINE HYDROCHLORIDE(2887-91-4)¹HNMR

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