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80214-83-1

80214-83-1 structural image
Product Name: Roxithromycin
Formula: C41H76N2O15
Synonyms: Erythromycin 9-(-O-[2-methoxyethoxy]methyloxime)
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 0.0189 mg/L at 25 °C (SRC PhysProp estimated -- MEYLAN,WM et al. (1996))
LogP 1.7
Dissociation Constants 9.27
Collision Cross Section 285.66 Ų [M+Na]+ 282.33 Ų [M+H]+

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 837.0 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 17
Rotatable Bond Count 13
Exact Mass 836.52456972 g/mol
Monoisotopic Mass 836.52456972 g/mol
Topological Polar Surface Area 217 Ų
Heavy Atom Count 58
Formal Charge 0
Complexity 1310
Isotope Atom Count 0
Defined Atom Stereocenter Count 18
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

Roxithromycin is semisynthetic derivative of erythromycin A. It has a role as an antibacterial drug. It is an erythromycin derivative, a macrolide and a semisynthetic derivative. It is functionally related to an erythromycin A.

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