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Substance Name: Rifamycin B ethylphenylamide
RN: 16784-09-1
InChIKey: MMENVWWZIAKYIO-MZOIETOMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C47-H58-N2-O13

Molecular Weight

  • 858.976
 
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Names and Synonyms

Results Name

  • Rifamycin B ethylphenylamide

Synonyms

  • BRN 5418783
  • NSC 146722
  • Rifamycin B ethylphenylamide

Systematic Names

  • Acetamide, 2-((1,2-dihydro-5,6,17,19,21-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-9-yl)oxy)-N-ethyl-N-phenyl-, 21-acetate
  • Rifamycin, 4-O-(2-(ethylphenylamino)-2-oxoethyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 16784-09-1

System Generated Number

  • 0016784091

Structure Descriptors

InChI

1S/C47H58N2O13/c1-11-49(31-18-13-12-14-19-31)35(51)23-59-34-22-32-42(55)37-36(34)38-44(29(7)41(37)54)62-47(9,45(38)56)60-21-20-33(58-10)26(4)43(61-30(8)50)28(6)40(53)27(5)39(52)24(2)16-15-17-25(3)46(57)48-32/h12-22,24,26-28,33,39-40,43,52-55H,11,23H2,1-10H3,(H,48,57)/b16-15+,21-20+,25-17-

InChIKey

MMENVWWZIAKYIO-MZOIETOMSA-N

Smiles

c12cc(c3c4c(c(c(c3c2O)O)C)O[C@@](C4=O)(OC=C[C@@H](OC)[C@@H](C)[C@@H]([C@@H](C)[C@@H]([C@@H](C)[C@@H]([C@@H](C)C=CC=C(C)C(N1)=O)O)O)OC(C)=O)C)OCC(N(c1ccccc1)CC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 257mg/kg (257mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 596, 1964.