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Home > Encyclopedia > methyl (1R,2R,3S,5S)-3-(4-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

methyl (1R,2R,3S,5S)-3-(4-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

methyl (1R,2R,3S,5S)-3-(4-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate structure

methyl (1R,2R,3S,5S)-3-(4-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate 

structure
  • CAS No:

    141120-39-0

  • Formula:

    C17H20INO4

  • Chemical Name:

    methyl (1R,2R,3S,5S)-3-(4-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

  • Synonyms:

    4'-iodococaine;4'-Iodococaine;141120-39-0;125I-4'-Iodococaine;Ecgonine 4-iodobenzoate methyl ester;DTXSID60930995;Methyl 3-[(4-iodobenzoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-((4-iodobenzoyl)oxy)-8-methyl-, methyl ester, (1R-(exo,exo))-

methyl (1R,2R,3S,5S)-3-(4-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate Basic Attributes

429.25 g/mol

429.04371 g/mol

Characteristics

55.8 Ų

Drug Information

4'-iodococaine

Computed Properties

Molecular Weight:429.25
XLogP3:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:429.04371
Monoisotopic Mass:429.04371
Topological Polar Surface Area:55.8
Heavy Atom Count:23
Complexity:464
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl (1R,2R,3S,5S)-3-(4-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

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