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Substance Name: Calycin
RN: 10091-92-6
InChIKey: CGRCGRBHNKRILW-JQIJEIRASA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C18-H10-O5

Molecular Weight

  • 306.272
 
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Names and Synonyms

Name of Substance

  • Calycin

Synonyms

  • 3-(3-Hydroxy-5-oxo-4-phenyl-2(5H)-furylidene)-2(3H)-benzofuranone
  • 5-19-06-00444 (Beilstein Handbook Reference)
  • BRN 1352451
  • Calycin
  • Calycine
  • Oxypulvic acid lactone

Systematic Names

  • 2(3H)-Benzofuranone, 3-(3-hydroxy-5-oxo-4-phenyl-2(5H)-furanylidene)- (9CI)
  • 2(3H)-Benzofuranone, 3-(3-hydroxy-5-oxo-4-phenyl-2(5H)-furylidene)-

Registry Numbers

CAS Registry Number

  • 10091-92-6

System Generated Number

  • 0010091926

Structure Descriptors

InChI

1S/C18H10O5/c19-15-13(10-6-2-1-3-7-10)17(20)23-16(15)14-11-8-4-5-9-12(11)22-18(14)21/h1-9,19H/b16-14+

InChIKey

CGRCGRBHNKRILW-JQIJEIRASA-N

Smiles

C1(=C2\C(=C(c3ccccc3)C(O2)=O)O)\c2c(cccc2)OC1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 100mg/kg (100mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 9, Pg. 53, 1982.