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Substance Name: Rifamycin S
RN: 13553-79-2
UNII: PI53N820JV
InChIKey: BTVYFIMKUHNOBZ-ODRIEIDWSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C37-H45-N-O12

Molecular Weight

  • 695.758
 
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Names and Synonyms

Name of Substance

  • Rifamycin S

Synonyms

  • 1,4-Dideoxy-1,4-dihydro-1,4-dioxorifamycin
  • BRN 0604802
  • EINECS 236-938-4
  • NCI 144-130
  • NSC 144130
  • Rifamycin S
  • Rifomycin S
  • UNII-PI53N820JV

Systematic Names

  • 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,6,9,11(2H)-tetrone, 5,17,19,21-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate
  • Rifamycin, 1,4-dideoxy-1,4-dihydro-1,4-dioxo-

Registry Numbers

CAS Registry Number

  • 13553-79-2

FDA UNII

  • PI53N820JV

System Generated Number

  • 0013553792

Structure Descriptors

InChI

1S/C37H45NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,41-43H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1

InChIKey

BTVYFIMKUHNOBZ-ODRIEIDWSA-N

Smiles

N1C(C(=CC=C[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H](OC)C=CO[C@@]2(C(c3c4C(C=C1C(c4c(O)c(c3O2)C)=O)=O)=O)C)C)OC(C)=O)C)O)C)O)C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 258mg/kg (258mg/kg)   "Antibiotics: Origin, Nature, and Properties," Korzyoski, T., et al., eds., Washington, DC, American Soc. for Microbiology, 1978Vol. 1, Pg. 865, 1978.
mouse LD50 intravenous 122mg/kg (122mg/kg)   "Antibiotics: Origin, Nature, and Properties," Korzyoski, T., et al., eds., Washington, DC, American Soc. for Microbiology, 1978Vol. 1, Pg. 865, 1978.
mouse LD50 oral > 3gm/kg (3000mg/kg)   Experientia. Vol. 16, Pg. 412, 1960.