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Desacetyl Rifapentine-[d8]

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General Information
Catalog: BLP-002498
Molecular Formula: C45H54D8N4O11
Molecular Weight: 843.06

Chemical Structure

Description	Desacetyl Rifapentine-[d8], is the labelled analogue of Desacetyl Rifapentine, which is an impurity of Rifapentine. Rifapentine is an antibiotic used in the treatment of tuberculosis.
Synonyms	Desacetyl Rifapentine D8
IUPAC Name	(7S,9E,11S,12S,13S,14R,15R,16R,17S,18S,19E,21Z)-26-[(4-cyclopentyl-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)iminomethyl]-2,13,15,17,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaene-6,23-dione
Related CAS	79039-56-8 (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)O)C)OC)C)C)O)O)C=NN5CCN(CC5)C6CCCC6)C
InChI	InChI=1S/C45H62N4O11/c1-23-12-11-13-24(2)44(57)47-35-30(22-46-49-19-17-48(18-20-49)29-14-9-10-15-29)40(54)32-33(41(35)55)39(53)28(6)42-34(32)43(56)45(7,60-42)59-21-16-31(58-8)25(3)37(51)27(5)38(52)26(4)36(23)50/h11-13,16,21-23,25-27,29,31,36-38,50-55H,9-10,14-15,17-20H2,1-8H3,(H,47,57)/b12-11+,21-16+,24-13-,46-22?/t23-,25+,26+,27-,31-,36-,37+,38+,45-/m0/s1/i17D2,18D2,19D2,20D2
InChI Key	LPUNEQQTZOWCNO-RAGPTIBJSA-N
Purity	> 98%