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Substance Name: Rifamycin, 4-O-(2-oxo-2-(1-pyrrolidinyl)ethyl)-
RN: 13929-40-3
InChIKey: OFFBKACOAWRZCJ-PGEWOLCOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C43-H56-N2-O13

Molecular Weight

  • 808.916
 
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Names and Synonyms

Results Name

  • Rifamycin, 4-O-(2-oxo-2-(1-pyrrolidinyl)ethyl)-

Synonyms

  • BRN 5418443
  • Rifamycin B pyrrolidide

Systematic Names

  • Pyrrolidine, 1-(((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)acetyl)-, 21-acetate
  • Rifamycin, 4-O-(2-oxo-2-(1-pyrrolidinyl)ethyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 13929-40-3

System Generated Number

  • 0013929403

Structure Descriptors

InChI

1S/C43H56N2O13/c1-21-13-12-14-22(2)42(53)44-28-19-30(55-20-31(47)45-16-10-11-17-45)32-33(38(28)51)37(50)26(6)40-34(32)41(52)43(8,58-40)56-18-15-29(54-9)23(3)39(57-27(7)46)25(5)36(49)24(4)35(21)48/h12-15,18-19,21,23-25,29,35-36,39,48-51H,10-11,16-17,20H2,1-9H3,(H,44,53)/b13-12+,18-15+,22-14-

InChIKey

OFFBKACOAWRZCJ-PGEWOLCOSA-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(=O)N1CCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 680mg/kg (680mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 596, 1964.