RIFABUTINE

About This Item

Molecular Formula	C₄₆H₆₂N₄O₁₁
CAS Number	72559-06-9

FC-0972236

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Properties

Chemical Identifiers

IUPAC Name	[(7S,11S,12R,13S,14R,15R,16R,17S,18S,19Z,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(31),2,4,9,19,21,25(32),26,29-nonaene-28,4'-piperidine]-13-yl] acetate
SMILES	CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C5=NC6(CCN(CC6)CC(C)C)N=C25)O)C
InChI Key	AZFBLLCNOQPJGJ-WBGWULMVSA-N

Physical Properties

Boiling Point	969.6±65.0 °C at 760 mmHg
Melting Point	169-171ºC
Flash Point	540.2±34.3 °C
Density	1.3±0.1 g/cm3

Safety Information

Flash Point

540.2±34.3 °C

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.