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Apoatropine

Apoatropine structure

Apoatropine 

structure
  • CAS No:

    500-55-0

  • Formula:

    C17H21NO2

  • Chemical Name:

    Apoatropine

  • Synonyms:

    Benzeneacetic acid,α-methylene-,(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester;Apoatropine;1αH,5αH-Tropan-3α-ol,atropate (ester);Benzeneacetic acid,α-methylene-,8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester,endo-;Atropamine;Atropyltropeine;Apoatropin;Atropamin;Apohyoscyamine;Apohyoscyamin;78887-65-7

  • Categories:

    Active Pharmaceutical Ingredients  >  Other Chemical Drugs

Description

Alkaloid composed of colorless crystalline prisms.


Apoatropine is a monocarboxylic acid.

Apoatropine Basic Attributes

271.35

271.35

207-906-7

2933990090

Characteristics

29.5

3.22

1.1±0.1 g/cm3

62 °C

389.1±42.0 °C at 760 mmHg

136.5±18.8 °C

1.572

Oral-Mouse LD50: 160 mg/kg; Abdominal cavity-mouse LD50: 10.4 mg/kg

Flammable; burning produces toxic nitrogen oxide fumes

Safety Information

1544

26/28

25-45

Treasury is ventilated, low temperature and dry; stored separately from food materials

Toxicity

highly toxic

Apoatropine Use and Manufacturing

Apoatropine is an alkaloid derivative with the potential to be an antibacterial.

Computed Properties

Molecular Weight:271.35
XLogP3:3.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:271.157228913
Monoisotopic Mass:271.157228913
Topological Polar Surface Area:29.5
Heavy Atom Count:20
Complexity:373
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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