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157798-12-4

157798-12-4 structural image
Product Name: 5-NONYLOXYTRYPTAMINE OXALATE
Formula: C19H30N2O
Synonyms: 5-(Nonyloxy)-1H-Indole-3-ethanamine ethanedioate;5-(Nonyloxy)tryptamine oxalate;5-Nonyloxytryptamine oxalate
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 302.5 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 11
Exact Mass 302.235813585 g/mol
Monoisotopic Mass 302.235813585 g/mol
Topological Polar Surface Area 51 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 285
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

5-nonyloxytryptamine is a tryptamine derivative that consists of serotonin bearing an additional O-nonyl substituent. 5-HT1B selective agonist, several times more potent than sumatriptan and inactive as a 5-HT1A agonist (Ki at 5-HT1B = 1 nM, selectivity over 5-HT1A > 300-fold). It has a role as a serotonergic agonist. It is a member of tryptamines, a primary amino compound and an aromatic ether. It is functionally related to a serotonin. It is a conjugate base of a 5-nonyloxytryptaminium(1+).