| Identification | Back Directory | [Name]
DESMETHYLDOXEPIN | [CAS]
1225-56-5 | [Synonyms]
NORDOXEPIN
Demethyldoxepin
DESMETHYLDOXEPIN
Nordoxepin 13CD3
Desmethyldoxepine
Monodesmethyldoxepin
Desmethyldoxepin solution
2887-91-4 (Hydrochloride)
Desmethyldoxepin (cis/trans)
(E,Z)-3-(Dibenzo[b,e]oxepin-11(6H)-
Doxepin EP Impurity C(Desmethyldoxepine)
Doxepin Hydrochloride Impurity C as E/Z-Mixture
Doxepin Hydrochloride EP Impurity C as E/Z-Mixture
1-Propanamine, 3-dibenzb,eoxepin-11(6H)-ylidene-N-methyl-
Dibenz(B,E)oxepin-delta11(6H),gamma-propylamine, N-methyl-
3-[Dibenz[b,e]oxepin-11(6H)-ylidene]-N-methyl-1-propanamine
N-Methyl-3-[dibenzo[b,e]oxepin-11(6H)-ylidene]-1-propanamine
(3Z)-3-Dibenzo[b,E]oxepin-11(6H)-ylidene-N-methyl-1-propanamine
(E)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N-methylpropan-1-amine (desmethyldoxepin), | [EINECS(EC#)]
200-659-6 | [Molecular Formula]
C18H19NO | [MDL Number]
MFCD00673268 | [MOL File]
1225-56-5.mol | [Molecular Weight]
265.35 |
| Chemical Properties | Back Directory | [Melting point ]
63-65℃ | [Boiling point ]
408.57°C (rough estimate) | [density ]
1.0629 (rough estimate) | [refractive index ]
1.5100 (estimate) | [Fp ]
9℃ | [storage temp. ]
?20°C | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
pKa 9.75(I=0.00 t=25.0) (Uncertain) | [color ]
White | [Water Solubility ]
104.8mg/L(25 ºC) | [Major Application]
clinical testing | [InChI]
1S/C18H19NO/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/b16-10- | [InChIKey]
HVKCEFHNSNZIHO-YBEGLDIGSA-N | [SMILES]
CNCC/C=C1C2=C(C=CC=C2)COC3=C/1C=CC=C3 | [EPA Substance Registry System]
1-Propanamine, 3-dibenz[b,e]oxepin-11(6H)-ylidene-N-methyl- (1225-56-5) |
| Safety Data | Back Directory | [Hazard Codes ]
F,T | [Risk Statements ]
11-23/24/25-39/23/24/25 | [Safety Statements ]
7-16-36/37-45 | [RIDADR ]
UN1230 - class 3 - PG 2 - Methanol, solution | [WGK Germany ]
2 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Flam. Liq. 2
STOT SE 1 |
| Hazard Information | Back Directory | [Uses]
Desmethyldoxepin solution may be used as an internal standard in the high performance liquid chromatographic (HPLC) determination of bupivacaine in samples of human serum. | [Definition]
ChEBI: (E)-desmethyldoxepin is the (E)-isomer of desmethyldoxepin. | [General Description]
Desmethyldoxpein is the primary urinary metabolite of doxepin, a tricyclic antidepressant used for the treatment of sleep maintenance and sold under trade names such as Silenor? and Aponal. This analytical reference standard is suited for use in LC/MS or GC/MS methods for urine drug testing, clinical toxicology, and forensic analysis applications. |
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