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Substance Name: 7-(1-Isocyano-2-(4-methoxyphenyl))ethenyl-1-hydroxy-7-isocyanobicyclo(4,2,0)oct-2-en-4-one
RN: 123949-57-5
InChIKey: WUOCHBNTLPKWCP-YVLHZVERSA-N

Note

  • From Leptosphaeria sp. L-179.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H16-N2-O3

Molecular Weight

  • 320.346
 
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Names and Synonyms

Name of Substance

  • 7-(1-Isocyano-2-(4-methoxyphenyl))ethenyl-1-hydroxy-7-isocyanobicyclo(4,2,0)oct-2-en-4-one

Synonyms

  • Antibiotic MK4588
  • Leptocillin
  • MK4588

Systematic Name

  • Bicyclo(4.2.0)oct-4-en-3-one, 6-hydroxy-8-isocyano-8-(1-isocyano-2-(4-methoxyphenyl)ethenyl)-

Registry Numbers

CAS Registry Number

  • 123949-57-5

System Generated Number

  • 0123949575

Structure Descriptors

InChI

1S/C19H16N2O3/c1-20-17(10-13-4-6-15(24-3)7-5-13)19(21-2)12-18(23)9-8-14(22)11-16(18)19/h4-10,16,23H,11-12H2,3H3/b17-10-

InChIKey

WUOCHBNTLPKWCP-YVLHZVERSA-N

Smiles

C1[C@@H]2[C@@](C[C@@]2(C=CC1=O)O)(C(=C/c1ccc(cc1)OC)\[N+]#[C-])[N+]#[C-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 40mg/kg (40mg/kg)   Journal of Antibiotics. Vol. 43, Pg. 456, 1990.