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Substance Name: Neothramycin B
RN: 59593-15-6
InChIKey: FXMOIYLVKOALHC-JVXZTZIISA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C13-H14-N2-O4.1/2H2-O

Molecular Weight

  • 262.2636
 
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Names and Synonyms

Name of Substance

  • Neothramycin B

Synonym

  • Neothramycin B

Systematic Name

  • 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,11a-tetrahydro-3,8-dihydroxy-7-methoxy-, (3R-cis)-

Registry Numbers

CAS Registry Number

  • 59593-15-6

System Generated Number

  • 0059593156

Molecular Formulas

Molecular Formula

  • C13-H14-N2-O4.1/2H2-O

Molecular Formula Fragments

  • C13-H14-N2-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C13H14N2O4/c1-19-11-4-8-9(5-10(11)16)14-6-7-2-3-12(17)15(7)13(8)18/h4-7,12,16-17H,2-3H2,1H3/t7-,12+/m0/s1

InChIKey

FXMOIYLVKOALHC-JVXZTZIISA-N

Smiles

COc1cc2c(cc1O)N=C[C@@H]3CC[C@H](N3C2=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 20mg/kg (20mg/kg)   "Antibiotics: Origin, Nature, and Properties," Korzyoski, T., et al., eds., Washington, DC, American Soc. for Microbiology, 1978Vol. 2, Pg. 1299, 1978.
mouse LD50 intravenous 20mg/kg (20mg/kg)   Journal of Antibiotics. Vol. 29, Pg. 93, 1976.