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1108-68-5

1108-68-5 structural image
Product Name: Cinobufotalin
Formula: C26H34O7
Synonyms: 14,15β-Epoxy-3β,5α,16β-trihydroxy-5β,20(22)-bufadienolide 16-acetate;5β,20(22)-Bufadienolide-14,15β-epoxy-3β,5α,16β-triol 16-acetate
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P262:Do not get in eyes, on skin, or on clothing.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 458.5 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 3
Exact Mass 458.23045342 g/mol
Monoisotopic Mass 458.23045342 g/mol
Topological Polar Surface Area 106 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 972
Isotope Atom Count 0
Defined Atom Stereocenter Count 10
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

Cinobufotalin is a natural product found in Bufo and Bufo bufo with data available.