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976-71-6

976-71-6 structural image
Product Name: Canrenone
Formula: C22H28O3
Synonyms: (17α)-17-Hydroxy-3-oxopregna-4,6-diene-21-carboxylic acid γ-lactone;Canrenone;NSC 261713
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 150 °C
LogP 2.68
Collision Cross Section 183 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H351:Carcinogenicity
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 340.5 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 340.20384475 g/mol
Monoisotopic Mass 340.20384475 g/mol
Topological Polar Surface Area 43.4 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 719
Isotope Atom Count 0
Defined Atom Stereocenter Count 6
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

Canrenone is a steroid lactone.

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