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Substance Name: Ascofuranone
RN: 38462-04-3
UNII: I31EFB9515
InChIKey: VGYPZLGWVQQOST-JUERRSSISA-N

Molecular Formula

  • C23-H29-Cl-O5

Molecular Weight

  • 420.93
 
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Names and Synonyms

Name of Substance

  • Ascofuranone

Synonyms

  • Ascofuranon
  • Ascofuranone
  • UNII-I31EFB9515

Systematic Name

  • Benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-(3-methyl-7-(tetrahydro-5,5-dimethyl-4-oxo-2-furanyl)-2,6-octadienyl)-, (S-(E,E))-

Registry Numbers

CAS Registry Number

  • 38462-04-3

FDA UNII

  • I31EFB9515

System Generated Number

  • 0038462043

Structure Descriptors

InChI

1S/C23H29ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18,27-28H,6-7,10-11H2,1-5H3/b13-9+,14-8+/t18-/m0/s1

InChIKey

VGYPZLGWVQQOST-JUERRSSISA-N

Smiles

c1(c(c(c(C)c(c1O)Cl)C=O)O)C\C=C(\CC\C=C(\[C@@H]1CC(=O)C(O1)(C)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2220mg/kg (2220mg/kg) GASTROINTESTINAL: OTHER CHANGES

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Journal of Antibiotics. Vol. 26, Pg. 681, 1973.
mouse LD50 oral > 3700mg/kg (3700mg/kg)   Journal of Antibiotics. Vol. 26, Pg. 681, 1973.
mouse LD50 unreported 800mg/kg (800mg/kg)   Journal of Antibiotics. Vol. 39, Pg. 676, 1986.
rat LD50 intraperitoneal 1350mg/kg (1350mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

GASTROINTESTINAL: OTHER CHANGES
Journal of Antibiotics. Vol. 26, Pg. 681, 1973.
rat LD50 oral > 7gm/kg (7000mg/kg)   Journal of Antibiotics. Vol. 26, Pg. 681, 1973.