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Substance Name: Rifamycin B methylpropylamide
RN: 16784-10-4
InChIKey: RCRKUTFIUCSOQL-FMKTWIJMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C43-H58-N2-O13

Molecular Weight

  • 810.932
 
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Names and Synonyms

Results Name

  • Rifamycin B methylpropylamide

Synonyms

  • BRN 5418339
  • NCI 143-427
  • Rifamycin B methylpropylamide

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-methyl-N-propyl-, 21-acetate
  • Rifamycin, 4-O-(2-(methylpropylamino)-2-oxoethyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 16784-10-4

System Generated Number

  • 0016784104

Structure Descriptors

InChI

1S/C43H58N2O13/c1-12-17-45(10)31(47)20-55-30-19-28-38(51)33-32(30)34-40(26(7)37(33)50)58-43(9,41(34)52)56-18-16-29(54-11)23(4)39(57-27(8)46)25(6)36(49)24(5)35(48)21(2)14-13-15-22(3)42(53)44-28/h13-16,18-19,21,23-25,29,35-36,39,48-51H,12,17,20H2,1-11H3,(H,44,53)/b14-13+,18-16+,22-15-

InChIKey

RCRKUTFIUCSOQL-FMKTWIJMSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 368mg/kg (368mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 596, 1964.