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Substance Name: Clorobiocin
RN: 39868-96-7
InChIKey: FJAQNRBDVKIIKK-LFLQOBSNSA-N

Note

  • Chlorine-containing antibiotic related to novobiocin.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C35-H37-Cl-N2-O11

Molecular Weight

  • 697.133
 
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Names and Synonyms

Name of Substance

  • Clorobiocin

Synonyms

  • 18 631 R.P.
  • 18631 RP
  • Antibiotic RP 18,631
  • Chlorobiocin
  • Clorobiocin
  • NSC 227186
  • RP 18631

Systematic Name

  • 1H-Pyrrole-2-carboxylic acid, 5-methyl-, 3'-ester with N-(8-chloro-7-((6-deoxy-5-C-methyl-4-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-4-hydroxy-3-(3-methyl-2-butenyl)benzamide

Registry Numbers

CAS Registry Number

  • 39868-96-7

System Generated Number

  • 0039868967

Structure Descriptors

InChI

1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)/t27-,29+,30-,34-/m1/s1

InChIKey

FJAQNRBDVKIIKK-LFLQOBSNSA-N

Smiles

c1(c(O)c2c(oc1=O)c(Cl)c(cc2)O[C@H]1[C@@H]([C@H](OC(c2[nH]c(C)cc2)=O)[C@H](C(O1)(C)C)OC)O)NC(c1ccc(O)c(c1)C\C=C(\C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2200mg/kg (2200mg/kg)   "Antibiotics: Origin, Nature, and Properties," Korzyoski, T., et al., eds., Washington, DC, American Soc. for Microbiology, 1978Vol. 1, Pg. 146, 1978.
mouse LD50 subcutaneous 1700mg/kg (1700mg/kg)   "Antibiotics: Origin, Nature, and Properties," Korzyoski, T., et al., eds., Washington, DC, American Soc. for Microbiology, 1978Vol. 1, Pg. 146, 1978.