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60-70-8

60-70-8 structural image
Product Name: veratramine
Formula: C27H39NO2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid; [Merck Index]
Color/Form CRYSTALS
Melting Point MP: 209.5-210.5 °C /HYDRATE/
Solubility SLIGHTLY SOL IN WATER; SOL IN METHANOL, ALC
Optical Rotation SPECIFIC OPTICAL ROTATION: -71.8 DEG @ 25 °C/D (WATER 1.21%), -70 DEG @ 25 °C/D (METHANOL 1.56%); MAX ABSORPTION: 268 NM
Other Experimental Properties PRECIPITATED BY DIGITONIN
Chemical Classes Biological Agents -> Plant Toxins

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 409.6 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 409.298079487 g/mol
Monoisotopic Mass 409.298079487 g/mol
Topological Polar Surface Area 52.5 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 676
Isotope Atom Count 0
Defined Atom Stereocenter Count 8
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

Veratramine is a piperidine alkaloid comprising the 14,15,16,17-tetradehydro derivative of veratraman having two hydroxy groups at the 3- and 23-positions. It derives from a hydride of a veratraman.