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Substance Name: Rifamycin B anilide
RN: 13929-39-0
InChIKey: XWUFBLUKDLTJDE-COPYJFQCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C45-H54-N2-O13

Molecular Weight

  • 830.923
 
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Names and Synonyms

Results Name

  • Rifamycin B anilide

Synonyms

  • 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)acetanilide 21-acetate
  • BRN 5418668
  • Rifamycin B anilide
  • Rifamycin B phenylamide

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-phenyl-, 21-acetate
  • Acetanilide, 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)-, 21-acetate
  • Rifamycin, 4-O-(2-oxo-2-(phenylamino)ethyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 13929-39-0

System Generated Number

  • 0013929390

Structure Descriptors

InChI

1S/C45H54N2O13/c1-22-14-13-15-23(2)44(55)47-30-20-32(57-21-33(49)46-29-16-11-10-12-17-29)34-35(40(30)53)39(52)27(6)42-36(34)43(54)45(8,60-42)58-19-18-31(56-9)24(3)41(59-28(7)48)26(5)38(51)25(4)37(22)50/h10-20,22,24-26,31,37-38,41,50-53H,21H2,1-9H3,(H,46,49)(H,47,55)/b14-13+,19-18+,23-15-

InChIKey

XWUFBLUKDLTJDE-COPYJFQCSA-N

Smiles

c12cc(c3c4c(c(c(c3c2O)O)C)O[C@@](C)(C4=O)OC=C[C@@H](OC)[C@@H](C)[C@@H]([C@@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@@H](C)C=CC=C(C)C(N1)=O)O)OC(C)=O)OCC(=O)Nc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 130mg/kg (130mg/kg) LIVER: CHANGE IN GALL BLADDER STRUCTURE OR FUNCTION Chemotherapia. Vol. 12, Pg. 155, 1967.