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Substance Name: Rifamycin dibenzylamide
RN: 17607-39-5
InChIKey: OGKYAZDTDGHIGP-TXFFRGPUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C51-H62-N2-O13
  • C53-H62-N2-O13

Molecular Weight

  • 935.0738
 
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Names and Synonyms

Results Name

  • Rifamycin dibenzylamide

Synonyms

  • N,N-Dibenzyl-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)acetamide 21-acetate
  • NCI 173-424
  • Rifamycin dibenzylamide

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,N-dibenzyl-, 21-acetate
  • Acetamide, N,N-dibenzyl-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-(bis(phenylmethyl)amino)-2-oxoethyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 17607-39-5

System Generated Number

  • 0017607395

Structure Descriptors

InChI

1S/C53H62N2O13/c1-29-17-16-18-30(2)52(63)54-38-25-40(65-28-41(57)55(26-36-19-12-10-13-20-36)27-37-21-14-11-15-22-37)42-43(48(38)61)47(60)34(6)50-44(42)51(62)53(8,68-50)66-24-23-39(64-9)31(3)49(67-35(7)56)33(5)46(59)32(4)45(29)58/h10-25,29,31-33,39,45-46,49,58-61H,26-28H2,1-9H3,(H,54,63)/b17-16+,24-23+,30-18-

InChIKey

OGKYAZDTDGHIGP-TXFFRGPUSA-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)N(Cc5ccccc5)Cc6ccccc6)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 185mg/kg (185mg/kg)   Farmaco, Edizione Scientifica. Vol. 37, Pg. 3, 1982.