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264622-58-4

264622-58-4 structural image
Product Name: 8-[4-[((4-Cyanophenyl)carbamoylmethyl)oxy]phenyl]-1,3-di(n-propyl)xanthine hydrate
Formula: C26H26N6O4
Synonyms: 8-[4-[((4-Cyanophenyl)carbamoylmethyl)oxy]phenyl]-1,3-di(n-propyl)xanthine hydrate
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05
GHS Hazard Statements H290:Corrosive to Metals
H314:Skin corrosion/irritation
Precautionary Statement Codes P234:Keep only in original container.
P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P363:Wash contaminated clothing before reuse.
P390:Absorb spillage to prevent material damage.
P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P405:Store locked up.
P406:Store in corrosive resistant/… container with a resistant inner liner.

COMPUTED DESCRIPTORS

Molecular Weight 486.5 g/mol
XLogP3 4.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 9
Exact Mass 486.20155333 g/mol
Monoisotopic Mass 486.20155333 g/mol
Topological Polar Surface Area 131 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 843
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

N-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide is an oxopurine.