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14643-66-4

14643-66-4 structural image
Product Name: COPROPORPHYRIN III DIHYDROCHLORIDE
Formula: C36H38N4O8
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 257.2 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 654.7 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 12
Exact Mass 654.26896418 g/mol
Monoisotopic Mass 654.26896418 g/mol
Topological Polar Surface Area 207 Ų
Heavy Atom Count 48
Formal Charge 0
Complexity 1170
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

Coproporphyrin III is a coproporphyrin. It has a role as a human metabolite. It is a conjugate acid of a coproporphyrin III(4-).