Scientists at the Italian drug company Achifar discovered rifabutin in 1975. Eventually Archifar became part of Farmitalia Carlo Erba, a unit of the conglomerate Montedison. This company's Adria Laboratories subsidiary filed for Food and Drug Administration (FDA) approval of rifabutin under the brand name Mycobutin in the early 1990s and the drug gained FDA approval in December 1992.

Rifabutin, with the CAS NO.72559-06-9, has the Synonym of 1',4-Didehydro-1-deoxy-1,4-dihydro-5'-(2-methylpropyl)-1-oxorifamycin XIV; Ansatipine; Ansamycin; Antibiotic LM 427; LM 427; Mycobutin; Rifabutine. Rifabutin's molecular formula is C₄₆H₆₂N₄O₁₁ and its molecular weight is 847. It is soluble in Chloroform and Methanol. Rifabutin is a bactericidal antibiotic drug primarily used in the treatment of tuberculosis.

Physical properties about Rifabutin are: (1)ACD/LogP: 3.448; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 0.19; (4)ACD/LogD (pH 7.4): 0.88; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 4.84; (9)#H bond acceptors: 15; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.623; (13)Molar Refractivity: 222.927 cm³; (14)Molar Volume: 632.44 cm³; (15)Polarizability: 88.375 10-24cm³; (16)Surface Tension: 47.2929992675781 dyne/cm; (17)Density: 1.339 g/cm³; (18)Flash Point: 540.188 °C; (19)Enthalpy of Vaporization: 147.962 kJ/mol; (20)Boiling Point: 969.589 °C at 760 mmHg

Uses of Rifabutin:
1、Rifabutin is used in the treatment of mycobacterium avium complex disease, a bacterial infection most commonly encountered in late-stage AIDS patients.
2、Rifabutin is well tolerated in patients with HIV-related tuberculosis (TB).
3、Rifabutin is also used in trials for treating Crohn's Disease as part of the anti-MAP therapy. It has shown significant improvement of the condition in some patients.

You can still convert the following datas into molecular structure:
(1)InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57)/b13-12+,20-15+,24-14-/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1;
(2)InChIKey=ATEBXHFBFRCZMA-VXTBVIBXSA-N;
(3)SmilesN1C2(N=C3c4c5C(=O)C(NC(C(=CC=C[C@H](C)[C@@H]([C@@H](C)[C@H]([C@@H](C)[C@H](OC(=O)C)[C@@H]([C@H](C=CO[C@@]6(C)Oc(c4C6=O)c(C)c5O)OC)C)O)O)C)=O)=C13)CCN(CC2)CC(C)C;

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD	oral	> 2gm/kg (2000mg/kg)		Experimental and Toxicologic Pathology. Vol. 47, Pg. 1, 1995.
man	TDLo	unreported	60mg/kg/14D-I (60mg/kg)	BLOOD: AGRANULOCYTOSIS	Lancet. Vol. 348, Pg. 685, 1996.
monkey	LD	oral	> 4gm/kg (4000mg/kg)		Experimental and Toxicologic Pathology. Vol. 47, Pg. 1, 1995.
mouse	LD50	intravenous	266mg/kg (266mg/kg)	BEHAVIORAL: ATAXIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Experimental and Toxicologic Pathology. Vol. 47, Pg. 1, 1995.
mouse	LD50	oral	3322mg/kg (3322mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Experimental and Toxicologic Pathology. Vol. 47, Pg. 1, 1995.
rat	LD50	intravenous	51mg/kg (51mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Experimental and Toxicologic Pathology. Vol. 47, Pg. 1, 1995.
rat	LD50	oral	> 5gm/kg (5000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Experimental and Toxicologic Pathology. Vol. 47, Pg. 1, 1995.
women	TDLo	unreported	84mg/kg/14D-I (84mg/kg)	BLOOD: AGRANULOCYTOSIS	Lancet. Vol. 348, Pg. 685, 1996.