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Rifabutin

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Rifabutin / CAS : 72559-06-9

Appearance Red to violet crystalline powder UN -
HS 29419030 DG Class -
Synonyms Rifabatin; Ansatipine; 6,9-Dihydro-5,17,19,21-Tetrahydroxy-8,9-[2-Spiro-(N-Isobutyl-4-Piperidyl)-2,5-Dihydro-1H-Imidazo]-23-Methoxy-2,4,12,16,18,20,22-Heptamethyl-6-Oxo-2,7-Epoxypentadeca-[1,11,13]-Trienimine-2H-Furo[2',3',7,8]Nafto[1,2-D]Imidazolo-2,4'-Piperidine-5,10,26. (3H,9H)-Trione-16-Acetate; Lm427; 1',4-Didehydro-1-Desoxi-1,4-Di-Hydro-5'-(2-Methyl-Propyl)-1-Oxo-Rifamycin; Antibioticlm427; 4-Deoxo-3,4-[2-Spiro(N-Isobutyl-4-Piperidyl)-2,5-Dihydro-1H-Imidazo]-Rifamicin S; Ansamycin; Rifabutine; Mycobutin; 4-Deoxw3,4-[2-Spiro(N-Isobutyl-4-Pipendyl)]-(1H)-Imidazo-(2,5-Dihydro)Rifamycin S; 4-N-Isobutylspiropiperidylrifamycin S; 1,4-Dihydro-1-Deoxy-1’,4-Didehydro-5’-(2-Methylpropyl)-1-Oxo-Rifamycinxi; (9S,12E,14S,15R,16S,17R,18R,19R,20S,21S,22E,24Z)-6,16,18,20-Tetrahydroxy-1'-Isobutyl-14-Methoxy-7,9,15,17,19,21,25-Hepta-Methyl-Spiro[9,4-(Epoxypentadeca[1,11,13]Trienimino)-2H-Furo-[2',3'
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Properties

Summary

Formula
C46H62N4O11
Molecular Mass
847.00500
Exact Mass
846.44200
PSA
205.55000
Logp
4.64680
IUPAC
[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23-dioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(32),2,4,9,19,21,24,26,30-nonaene-28,4'-piperidine]-13-yl] acetate
SMILES
CC1C=CC=C(C(=O)N=C2C(=C3C(=C4C2=NC5(N4)CCN(CC5)CC(C)C)C6=C(C(=C3O)C)OC(C6=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)O)C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Antibiotics

Chemical and Physical Properties

Melting Point
169-171 ºC
Density
1.339 g/cm3
Boiling Point
969.589 ºC
Flash Point
540.188 ºC
Appearance
Red to violet crystalline powder

Export information

HS Code
29419030
Export Rebate
13%

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