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  2. 1-Propanamine,3-dibenz[b,e]oxepin-11(6H)-ylidene-N-methyl-N-(methyl-d3)-, hydrochloride (9CI)

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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

1-Propanamine,3-dibenz[b,e]oxepin-11(6H)-ylidene-N-methyl-N-(methyl-d3)-, hydrochloride (9CI)

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Chemical Name: 1-Propanamine,3-dibenz[b,e]oxepin-11(6H)-ylidene-N-methyl-N-(methyl-d3)-, hydrochloride (9CI)
CAS Number: 347840-07-7
Product Number: AG00C5ER(AGN-PC-0RA5WH)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties

Computed Properties
Molecular Weight:
318.859g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
318.158g/mol
Monoisotopic Mass:
318.158g/mol
Topological Polar Surface Area:
12.5A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
363
Isotope Atom Count:
3
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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Chemical Structure


Doxepin-d3 Hydrochloride is a deuterated analog of the pharmaceutical compound Doxepin Hydrochloride. This isotopically labeled form of Doxepin Hydrochloride plays a crucial role in chemical synthesis, particularly in the field of medicinal chemistry and drug development. As a deuterated derivative, it offers a valuable tool for studying the metabolic pathways and pharmacokinetics of Doxepin Hydrochloride in biological systems.In chemical synthesis, Doxepin-d3 Hydrochloride can be utilized as a stable isotope tracer to investigate the transformation and degradation processes of Doxepin Hydrochloride within a biological matrix. By incorporating deuterium into the molecular structure, researchers can track the fate of the compound in vivo and elucidate its metabolic fate with improved precision. This analytical approach is essential for determining the pharmacokinetic profile, bioavailability, and distribution of Doxepin Hydrochloride in the body.Furthermore, the incorporation of deuterium into Doxepin Hydrochloride can also enhance its pharmaceutical properties, such as metabolic stability, half-life, and efficacy. This isotopic modification can lead to the development of novel drug candidates with improved therapeutic benefits and reduced side effects. Overall, the application of Doxepin-d3 Hydrochloride in chemical synthesis enables researchers to gain deep insights into the pharmacological behavior of Doxepin Hydrochloride and facilitates the design of advanced drug formulations with enhanced pharmacokinetic properties.