80214-83-1
Product Name:
Roxithromycin
Formula:
C41H76N2O15
Synonyms:
Erythromycin 9-(-O-[2-methoxyethoxy]methyloxime)
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Solubility | 0.0189 mg/L at 25 °C (SRC PhysProp estimated -- MEYLAN,WM et al. (1996)) |
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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 |
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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 |
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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.