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Substance Name: Rifamycin B diallylamide
RN: 17607-45-3
InChIKey: MHTJOVRCLPHPDE-XYRCNNSGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C45-H58-N2-O13

Molecular Weight

  • 834.954
 
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Names and Synonyms

Results Name

  • Rifamycin B diallylamide

Synonyms

  • BRN 5418579
  • N,N-Diallyl-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 143-431
  • NSC 143431
  • Rifamycin B diallylamide
  • Rifamycin, 4-O-(2-(di-2-propenylamino)-2-oxoethyl)-

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-diallyl-, 21-acetate
  • Acetamide, N,N-diallyl-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-(di-2-propenylamino)-2-oxoethyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 17607-45-3

System Generated Number

  • 0017607453

Structure Descriptors

InChI

1S/C45H58N2O13/c1-12-18-47(19-13-2)33(49)22-57-32-21-30-40(53)35-34(32)36-42(28(8)39(35)52)60-45(10,43(36)54)58-20-17-31(56-11)25(5)41(59-29(9)48)27(7)38(51)26(6)37(50)23(3)15-14-16-24(4)44(55)46-30/h12-17,20-21,23,25-27,31,37-38,41,50-53H,1-2,18-19,22H2,3-11H3,(H,46,55)/b15-14+,20-17+,24-16-

InChIKey

MHTJOVRCLPHPDE-XYRCNNSGSA-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)N(CC=C)CC=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 245mg/kg (245mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 596, 1964.