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Substance Name: Clofazimine mixture with rifabutin
RN: 134713-93-2
InChIKey: QIFPDGHUWQLGPE-XDNOEVECSA-N

Molecular Weight

  • 1320.4176
 
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Names and Synonyms

Name of Substance

  • Clofazimine mixture with rifabutin

Synonym

  • Clofazimine / rifabutin

Registry Numbers

CAS Registry Number

  • 134713-93-2

System Generated Number

  • 0134713932

Structure Descriptors

InChI

1S/C46H62N4O11.C27H22Cl2N4/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;1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57);3-17,31H,1-2H3/b13-12+,20-15+,24-14-;30-24+/t23-,25+,26+,27+,30-,37-,38+,41+,45-;/m0./s1

InChIKey

QIFPDGHUWQLGPE-XDNOEVECSA-N

Smiles

Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CC(C)C)C2=O)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O.CC(C)/N=c/1\cc-2n(c3ccccc3nc2cc1Nc4ccc(cc4)Cl)c5ccc(cc5)Cl