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Home > Encyclopedia > [1,7,7-trimethyl-3-(pyrrolidin-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl] 3,4,5-trimethoxybenzoate;hydrochloride

[1,7,7-trimethyl-3-(pyrrolidin-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl] 3,4,5-trimethoxybenzoate;hydrochloride

[1,7,7-trimethyl-3-(pyrrolidin-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl] 3,4,5-trimethoxybenzoate;hydrochloride structure

[1,7,7-trimethyl-3-(pyrrolidin-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl] 3,4,5-trimethoxybenzoate;hydrochloride 

structure
  • CAS No:

    17092-59-0

  • Formula:

    C25H38ClNO5

  • Chemical Name:

    [1,7,7-trimethyl-3-(pyrrolidin-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl] 3,4,5-trimethoxybenzoate;hydrochloride

  • Synonyms:

    17092-59-0;2-Bornanol, 3-(1-pyrrolidinylmethyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride;3,4,5-Trimetossibenzoato di 3-pirrolidinometil-2-bornanolo cloridrato [Italian];Bicyclo(2.2.1)heptan-2-ol, 3-(1-pyrrolidinylmethyl)-1,7,7-trimethyl-, 3,4,5-trimethoxybenzoate (ester), hydrochloride;DTXSID00937862;3,4,5-Trimetossibenzoato di 3-pirrolidinometil-2-bornanolo cloridrato;1,7,7-Trimethyl-3-[(pyrrolidin-1-yl)methyl]bicyclo[2.2.1]heptan-2-yl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)

[1,7,7-trimethyl-3-(pyrrolidin-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl] 3,4,5-trimethoxybenzoate;hydrochloride Basic Attributes

468.0 g/mol

467.2438510 g/mol

Characteristics

57.2 Ų

5.1458

206 - 207 °C (ethyl acetate)

Toxicity

Name Type of Test Exposure Route Species Observed Dose/Duration Toxic Effects Reference
ACUTE TOXICITY DATA LD50 - Lethal dose, 50 percent kill Unreported Rodent - mouse 60 mg/kg Behavioral--somnolence (general depressed activity)
Behavioral--ataxia
Lungs, Thorax, or Respiration--respiratory stimulation
Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 22,121,1967

Computed Properties

Molecular Weight:468.0
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:467.2438510
Monoisotopic Mass:467.2438510
Topological Polar Surface Area:57.2
Heavy Atom Count:32
Complexity:634
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

Guide of [1,7,7-trimethyl-3-(pyrrolidin-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl] 3,4,5-trimethoxybenzoate;hydrochloride

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