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118-08-1

118-08-1 structural image
Product Name: (-)-BETA-HYDRASTINE
Formula: C21H21NO6
Synonyms: (1R,9S)-(−)-β-Hydrastine
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 186.3 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral

COMPUTED DESCRIPTORS

Molecular Weight 383.4 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 3
Exact Mass 383.13688739 g/mol
Monoisotopic Mass 383.13688739 g/mol
Topological Polar Surface Area 66.5 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 601
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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

Hydrastine is a member of isoquinolines. It has a role as a metabolite.