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Rifampicin-[d3]

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General Information
Catalog: BLP-013119
CAS: 1262052-36-7
Molecular Formula: C43H55D3N4O12
Molecular Weight: 825.96

Chemical Structure

Description	An isotope labelled Rifampicin. Rifampicin is an antibiotic used to treat several types of bacterial infections. Rifampicin-d3 is intended for use as an internal standard for the quantification of rifampicin by GC- or LC-MS.
Synonyms	3-[[(4-Methyl-d3-1-piperazin-yl)imino]methyl]rifamycin; Rifampin-d3; Rifaldazine-d3; Rifamycin AMP-d3; R/AMP-d3; Abrifam;-d3 Eremfat-d3; Rifa-d3
IUPAC Name	[(7S,11S,12S,13S,14R,15R,16R,17S,18S)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-26-[[4-(trideuteriomethyl)piperazin-1-yl]iminomethyl]-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
Related CAS	13292-46-1 (unlabelled)
Canonical SMILES	CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=NN5CCN(CC5)C)C
InChI	InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13+,44-20+/t21-,23-,24+,25+,29-,34-,35+,39+,43-/m0/s1/i9D3
InChI Key	JQXXHWHPUNPDRT-RBOQPHAKSA-N
Boiling Point	937.4±65.0 °C at 760 mmHg
Flash Point	520.7±34.3 °C
Purity	≥99% atom D
Density	1.3±0.1 g/cm3
Solubility	Soluble in Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Appearance	Orange to Very Dark Red Solid
Storage	Store at -20°C