80621-81-4
Product Name:
Rifaximin
Formula:
C43H51N3O11
Synonyms:
4-Deoxy-4′-methylpyrido[1′,2′-1,2]imidazo[5,4-c]rifamycin SV;Rifacol;Rifaximin
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| LogP | 2.6 |
|---|---|
| Collision Cross Section | 267.8 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
COMPUTED DESCRIPTORS
| Molecular Weight | 785.9 g/mol |
|---|---|
| XLogP3 | 6.9 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 3 |
| Exact Mass | 785.35235945 g/mol |
| Monoisotopic Mass | 785.35235945 g/mol |
| Topological Polar Surface Area | 198 Ų |
| Heavy Atom Count | 57 |
| Formal Charge | 0 |
| Complexity | 1590 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
Description
Rifaximin is a semisynthetic member of the class of rifamycins and a non-systemic gastrointestinal site-specific broad-spectrum antibiotic. Used in treating traveller's diarrhoea, hepatic encephalopathy and irritable bowel syndrome. It has a role as a gastrointestinal drug, an orphan drug and an antimicrobial agent. It is a member of rifamycins, an acetate ester, a lactam, an organic heterohexacyclic compound, a macrocycle, a semisynthetic derivative and a cyclic ketal.