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Substance Name: Rifamycin B 2,5-dimethylpyrrolidide
RN: 38123-17-0
InChIKey: MPPOEEMQNQXUON-RINIXXKTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C45-H60-N2-O13

Molecular Weight

  • 836.97
 
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Names and Synonyms

Results Name

  • Rifamycin B 2,5-dimethylpyrrolidide

Synonyms

  • BRN 5418591
  • NCI 143-439
  • Rifamycin B 2,5-dimethylpyrrolidide

Systematic Names

  • 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 9-((2,5-dimethyl-1-pyrrolidinylcarbonyl)methoxy)-2,4,12,16,18,20,22-heptamethyl-23-methoxy-5,6,17,19,21-pentahydroxy-, 21-acetate
  • Rifamycin, 4-O-(2-(2,5-dimethyl-1-pyrrolidinyl)-2-oxoethyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 38123-17-0

System Generated Number

  • 0038123170

Structure Descriptors

InChI

1S/C45H60N2O13/c1-21-13-12-14-22(2)44(55)46-30-19-32(57-20-33(49)47-23(3)15-16-24(47)4)34-35(40(30)53)39(52)28(8)42-36(34)43(54)45(10,60-42)58-18-17-31(56-11)25(5)41(59-29(9)48)27(7)38(51)26(6)37(21)50/h12-14,17-19,21,23-27,31,37-38,41,50-53H,15-16,20H2,1-11H3,(H,46,55)/b13-12+,18-17+,22-14-

InChIKey

MPPOEEMQNQXUON-RINIXXKTSA-N

Smiles

Cc1c(c2c3c(cc(c2O)NC(=O)/C(=C\C=C\C(C(C(C(C(C(C(C(/C=C/OC4(C(=O)c3c1O4)C)OC)C)OC(=O)C)C)O)C)O)C)/C)OCC(=O)N5C(CCC5C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 233mg/kg (233mg/kg)   Farmaco, Edizione Scientifica. Vol. 37, Pg. 3, 1982.