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104104-50-9

104104-50-9 structural image
Product Name: SR-95531
Formula: C15H18BrN3O3
Synonyms: 2-(3-Carboxypropyl)-3-amino-6-(4 methoxyphenyl)pyridazinium bromide;GABA A Receptor Antagonist, SR-95531, Gabazine, SR95531, SR 95531;GABAA Receptor Antagonist, SR-95531, Gabazine, SR95531, SR 95531;Gabazine;SR95531 (Gabazine) - CAS 104104-50-9 - Calbiochem
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
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.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
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 368.23 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 367.05315 g/mol
Monoisotopic Mass 367.05315 g/mol
Topological Polar Surface Area 86 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 451
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 2
Compound Is Canonicalized Yes