Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Rifamycin, 3-((1-piperazinylimino)methyl)-
RN: 13292-45-0
InChIKey: FKKVFHDDYXJFFL-VIVOQTQZSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C42-H56-N4-O12

Molecular Weight

  • 808.9204
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Rifamycin, 3-((1-piperazinylimino)methyl)-

Synonyms

  • 3-((1-Piperazinylimino)methyl)rifampicin
  • 4-N-Demethylrifampicin
  • AF/AP
  • BRN 0603769
  • Demethylrifampicin
  • N-Demethyl-rifampicin
  • N-Demethylrifampin
  • NSC 143416
  • Rifampicin AF/AP
  • Rifampicin, D-methyl

Systematic Names

  • 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-(N-1-piperazinylformimidoyl)-, 21-acetate
  • Rifamycin, 3-((1-piperazinylimino)methyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 13292-45-0

System Generated Number

  • 0013292450

Structure Descriptors

InChI

1S/C42H56N4O12/c1-20-11-10-12-21(2)41(54)45-32-27(19-44-46-16-14-43-15-17-46)36(51)29-30(37(32)52)35(50)25(6)39-31(29)40(53)42(8,58-39)56-18-13-28(55-9)22(3)38(57-26(7)47)24(5)34(49)23(4)33(20)48/h10-13,18-20,22-24,28,33-34,38,43,48-52H,14-17H2,1-9H3,(H,45,54)/b11-10+,18-13+,21-12-,44-19+/t20-,22+,23+,24+,28-,33-,34+,38+,42-/m0/s1

InChIKey

FKKVFHDDYXJFFL-VIVOQTQZSA-N

Smiles

Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)Nc(c2O)c(c3O)/C=N/N5CCNCC5)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 695mg/kg (695mg/kg)   Chemotherapia. Vol. 12, Pg. 155, 1967.
mouse LD50 oral > 2gm/kg (2000mg/kg)   "Structure-Activity Relationship among the Semisynthetic Antibiotics," Perlman, D., ed., New York, Academic Press, 1977Vol. -, Pg. 531, 1977.