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1183-35-3

1183-35-3 structural image
Product Name: DIHYDROOUABAIN
Formula: C29H46O12
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P403+P233:Store in a well-ventilated place. Keep container tightly closed.

COMPUTED DESCRIPTORS

Molecular Weight 586.7 g/mol
XLogP3 -1.2
Hydrogen Bond Donor Count 8
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 4
Exact Mass 586.29892690 g/mol
Monoisotopic Mass 586.29892690 g/mol
Topological Polar Surface Area 207 Ų
Heavy Atom Count 41
Formal Charge 0
Complexity 1030
Isotope Atom Count 0
Defined Atom Stereocenter Count 15
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Dihydroouabain is a cardenolide glycoside that is ouabain in which the double bond in the lactone ring has been reduced to a single bond. It is a cardiac glycoside and a derivative of ouabain which is used as a sodium pump antagonist and exhibits ionotropic effects. It has a role as a radiosensitizing agent and an EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor. It is functionally related to an ouabain.