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100324-63-8

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Basic Information
CAS No.: 100324-63-8
Name: 25-DESACETYL RIFABUTIN
Molecular Structure:
Molecular Structure of 100324-63-8 (25-DESACETYL RIFABUTIN)
Formula: C44H60 N4 O10
Molecular Weight: 804.97
Synonyms: RifamycinXIV,25-O-deacetyl-1',4-didehydro-1-deoxy-1,4-dihydro-5'-(2-methylpropyl)-1-oxo-;25-Hydroxy-rifabutin; 25-O-Deacetylrifabutin; 25-O-Desacetylrifabutin;Antibiotic LM 565; LM 565
Density: 1.35g/cm3
Melting Point: 150-160°C
Boiling Point: 975.4°Cat760mmHg
Flash Point: 543.7°C
PSA: 199.48000
LogP: 4.07600
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Chemistry

Molecular Structure of 25-O-Deacetyl Rifabutin (CAS NO.100324-63-8):

Systematic Name: (9S,12E,14S,15S,16S,17R,19R,20S,21S)-6,16,18,20-Tetrahydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-(1-methylpropyl)-26H-spiro[9,4-(epoxypentadeca[1,11,13]trienoimino)furo[2',3':7,8]naphtho[1,2- d]imidazole-2,4'-piperidine]-5,10,26(3H,9H)-trione 
Molecular Formula: C44H60N4O10
Molecular Weight: 804.97 
XLogP3-AA: 5.8
H-Bond Donor: 6
H-Bond Acceptor: 13
Index of Refraction: 1.633
Molar Refractivity: 212.5 cm3
Molar Volume: 594.9 cm3
Surface Tension: 48.4 dyne/cm
Density: 1.35 g/cm3
Flash Point: 543.7 °C
Enthalpy of Vaporization: 148.88 kJ/mol
Boiling Point: 975.4 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
Product Categories: Various Metabolites and Impurities; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals 

Uses

 25-O-Deacetyl Rifabutin (CAS NO.100324-63-8) is used as a metabolite of Rifabutin, it is an antibacterial.

Specification

 25-O-Deacetyl Rifabutin (CAS NO.100324-63-8), its Synonyms are 25-Desacetylrifabutin ; 25-O-Deacetyl-1',4-didehydro-1-deoxy-1,4-dihydro-5'-(2-methylpropyl)-1-oxorifamycin XIV ; Rifamycin XIV, 25-O-deacetyl-1',4-didehydro-1-deoxy-1,4-dihydro-5'-(2-methylpropyl)-1-oxo- ; Spiro[9,4-(epoxypentadeca[1,11,13]trienimino)-2H-furo[2',3':7,8]naphth[1,2-d]imidazole-2,4'-piperidine]-5,10,26(3H,9H)-trione,6,16,18,20-tetrahydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-(2-methylpropyl)-,(9S,12E,14S,15S,16S,17R,18R,19R,20S,21S,22E,24Z)- . 
  Unchanged drug, 25-O-Deacetyl Rifabutin and four other metabolites were identifed in human urine. The main urinary metabolite was 25-O-Deacetyl Rfabutin , other metabolites were characterized as oxidized, and oxidized-deacetylated derivatives. It was detected only in rat and man.