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128-20-1

128-20-1 structural image
Product Name: Eltanolone
Formula: C21H34O2
Synonyms: 3α-Hydroxy-5β-pregnan-20-one;3α-Hydroxy-5β-tetrahydroprogesterone;Pregnanolone
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 2605 2642 2643

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Health Hazard
GHS08
GHS Hazard Statements H351:Carcinogenicity
Precautionary Statement Codes P281:Use personal protective equipment as required.

COMPUTED DESCRIPTORS

Molecular Weight 318.5 g/mol
XLogP3 4.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 318.255880323 g/mol
Monoisotopic Mass 318.255880323 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 500
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

3alpha-hydroxy-5beta-pregnan-20-one is the 3alpha-stereoisomer of 3-hydroxy-5beta-pregnan-20-one. It has a role as an intravenous anaesthetic, a sedative and a human metabolite. It is a 3-hydroxy-5beta-pregnan-20-one and a 3alpha-hydroxy steroid.