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42408-82-2

42408-82-2 structural image
Product Name: BUTORPHANOL
Formula: C21H29NO2
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CHEMICAL AND PHYSICAL PROPERTIES

Dissociation Constants 8.19

COMPUTED DESCRIPTORS

Molecular Weight 327.5 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 327.219829168 g/mol
Monoisotopic Mass 327.219829168 g/mol
Topological Polar Surface Area 43.7 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 492
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Butorphanol is levorphanol in which a hydrogen at position 14 of the morphinan skeleton is substituted by hydroxy and one of the hydrogens of the N-methyl group is substituted by cyclopropyl. A semi-synthetic opioid agonist-antagonist analgesic, it is used as its (S,S)-tartaric acid salt for relief or moderate to severe pain. It has a role as an opioid analgesic, a mu-opioid receptor agonist, a kappa-opioid receptor agonist and an antitussive.