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Substance Name: Rifamycin B piperidide
RN: 14487-04-8
InChIKey: IRRNPBXDKFHKSC-SYQLGOIFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C44-H58-N2-O13

Molecular Weight

  • 822.943
 
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Names and Synonyms

Results Name

  • Rifamycin B piperidide

Synonyms

  • 4-O-(2-Oxo-2-(1-piperidinyl)ethyl)rifamycin
  • BRN 5418521
  • Rifamycin B piperidide

Systematic Names

  • Piperidine, 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-piperidinyl)ethyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 14487-04-8

System Generated Number

  • 0014487048

Structure Descriptors

InChI

1S/C44H58N2O13/c1-22-14-13-15-23(2)43(54)45-29-20-31(56-21-32(48)46-17-11-10-12-18-46)33-34(39(29)52)38(51)27(6)41-35(33)42(53)44(8,59-41)57-19-16-30(55-9)24(3)40(58-28(7)47)26(5)37(50)25(4)36(22)49/h13-16,19-20,22,24-26,30,36-37,40,49-52H,10-12,17-18,21H2,1-9H3,(H,45,54)/b14-13+,19-16+,23-15-

InChIKey

IRRNPBXDKFHKSC-SYQLGOIFSA-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](O)[C@@H](C)[C@@H](O)[C@@H](C)C=CC=C(C)C(N1)=O)OC(C)=O)OCC(N1CCCCC1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 285mg/kg (285mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 596, 1964.