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Substance Name: 2H-1-Benzopyran-2-one, 7-butoxy-4-(2-(5-nitro-2-furanyl)ethenyl)-, (E)-
RN: 68746-91-8
InChIKey: SWHAXSDSNWAVOV-SNAWJCMRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H17-N-O6

Molecular Weight

  • 355.3443
 
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Names and Synonyms

Synonyms

  • (E)-7-Butoxy-4-(2-(5-nitro-2-furanyl)ethenyl)-2H-1-benzopyran-2-one
  • 7-Butoxy-4-(2-(5-nitro-2-furyl)vinyl)coumarin

Systematic Name

  • 2H-1-Benzopyran-2-one, 7-butoxy-4-(2-(5-nitro-2-furanyl)ethenyl)-, (E)-

Registry Numbers

CAS Registry Number

  • 68746-91-8

System Generated Number

  • 0068746918

Structure Descriptors

InChI

1S/C19H17NO6/c1-2-3-10-24-15-6-8-16-13(11-19(21)26-17(16)12-15)4-5-14-7-9-18(25-14)20(22)23/h4-9,11-12H,2-3,10H2,1H3/b5-4+

InChIKey

SWHAXSDSNWAVOV-SNAWJCMRSA-N

Smiles

CCCCOc1ccc2c(cc(=O)oc2c1)/C=C/c3ccc(o3)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral > 2100mg/kg (2100mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 16, Pg. 704, 1978.