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480-54-6

480-54-6 structural image
Product Name: RETRORSINE
Formula: C18H25NO6
Synonyms: β-Longilobine;12,18-Dihydroxysenecionan-11,16-dione;Retrorsin;Senecionan-11,16-Dione, 12,18-Dihydroxy- (9CI)
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form Colorless prisms
Melting Point 212 °C
Solubility Soluble in chloroform; slightly soluble in acetone, ethanol, water
Vapor Pressure 1.9X10-14 mm Hg @ 25 °C /Estimated/
LogP log Kow = -1.88 @ 25 °C /Estimated/
Henry's Law Constant Henry's Law constant = 1.3X10-12 atm-cu m/mol @ 25 °C /Estimated/
Stability/Shelf Life Stability: stable at room temperature in closed containers: best stored under nitrogen -15 °C.
Optical Rotation Max absorption (water): 217 nm (epsilon= 201, 1%, 1 cm); specific optical rotation (chloroform): -61.4 deg @ 20 °C/D
Decomposition When heated to decomposition it emits toxic fumes of /nitrogen oxide/.
Dissociation Constants pKa = 6.01 /Estimated/
Kovats Retention Index 2585
Other Experimental Properties Readily hydrolyzed with alkali; reacts with oxidizing agents (slowly with atmospheric oxygen) to form dihydropyrrolizine and other derivatives.

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 351.4 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 1
Exact Mass 351.16818752 g/mol
Monoisotopic Mass 351.16818752 g/mol
Topological Polar Surface Area 96.3 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 627
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Retrorsine is a macrolide.