ChemicalBook--->CAS DataBase List--->2887-91-4

2887-91-4

2887-91-4 Structure

2887-91-4 Structure
IdentificationBack 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 PropertiesBack 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 InformationBack Directory
[Chemical Properties]

White To Off-White Powder
[Uses]

A metabolite of Doxepin (D550000).
[Biological Activity]

Doxepin metabolite.
Safety DataBack 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 DetailBack Directory
[Spectrum Detail]

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