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20554-84-1

20554-84-1 structural image
Product Name: Parthenolide
Formula: C15H20O3
Synonyms: Parthenolide, Tanacetum parthenium - CAS 20554-84-1 - Calbiochem
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 150.7 Ų [M+H-H2O]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H317:Sensitisation, Skin
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.

COMPUTED DESCRIPTORS

Molecular Weight 248.32 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 248.14124450 g/mol
Monoisotopic Mass 248.14124450 g/mol
Topological Polar Surface Area 38.8 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 437
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

Parthenolide is a sesquiterpene lactone and active principle of Feverfew (Tanacetum parthenium). It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, a peripheral nervous system drug, an inhibitor and a drug allergen.