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Substance Name: Rubiflavin
RN: 11016-71-0
InChIKey: MWOCAJJNPFWEJP-QZPTXFEZSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Natural Product

Molecular Weight

  • 730.85
 
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Names and Synonyms

Name of Substance

  • Rubiflavin

Synonyms

  • B 17476
  • NSC 105023
  • Rubiflavin

Systematic Name

  • Rubiflavin

Registry Numbers

CAS Registry Number

  • 11016-71-0

Other Registry Number

  • 39378-39-7

System Generated Number

  • 0011016710

Structure Descriptors

InChI

1S/C41H50N2O10/c1-11-12-28-41(6,53-28)29-16-25(44)30-18(2)13-23-32(38(30)52-29)37(48)33-31(36(23)47)21(26-15-24(42(7)8)34(45)19(3)50-26)14-22(35(33)46)27-17-40(5,43(9)10)39(49)20(4)51-27/h11-14,16,19-20,24,26-28,34,39,45-46,49H,15,17H2,1-10H3/b12-11-/t19-,20+,24-,26-,27-,28?,34-,39-,40+,41?/m1/s1

InChIKey

MWOCAJJNPFWEJP-QZPTXFEZSA-N

Smiles

C/C=C\C1C(O1)(C)c2cc(=O)c3c(cc4c(c3o2)C(=O)c5c(c(cc(c5O)[C@H]6C[C@]([C@@H]([C@@H](O6)C)O)(C)N(C)C)[C@H]7C[C@H]([C@@H]([C@H](O7)C)O)N(C)C)C4=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 15mg/kg (15mg/kg)   "Antibiotics: Origin, Nature, and Properties," Korzyoski, T., et al., eds., Washington, DC, American Soc. for Microbiology, 1978Vol. 2, Pg. 1438, 1978.
mouse LD50 subcutaneous 14310ug/kg (14.31mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,