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Substance Name: Atranorin
RN: 479-20-9
UNII: 450U2VJ2VG
InChIKey: YLOYKYXNDHOHHT-UHFFFAOYSA-N

Molecular Formula

  • C19-H18-O8

Molecular Weight

  • 374.3432
 
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Names and Synonyms

Name of Substance

  • Atranorin

Synonyms

  • Antranoric acid
  • Atranoric acid
  • Atranorin
  • Atranorine
  • EINECS 207-527-7
  • NSC 249980
  • NSC 685591
  • Parmelin
  • Parmelin acid
  • UNII-450U2VJ2VG
  • Usnarin
  • Usnarin acid

Systematic Names

  • 3-Hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl 3-formyl-2,4-dihydroxy-6-methylbenzoate
  • Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, 3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl ester (9CI)
  • Isophthalaldehydic acid, 2,4-dihydroxy-6-methyl-, 4-ester with methyl 3,6-dimethyl-beta-resorcylate (8CI)

Registry Numbers

CAS Registry Number

  • 479-20-9

FDA UNII

  • 450U2VJ2VG

System Generated Number

  • 0000479209

Structure Descriptors

InChI

1S/C19H18O8/c1-8-5-12(21)11(7-20)17(23)15(8)19(25)27-13-6-9(2)14(18(24)26-4)16(22)10(13)3/h5-7,21-23H,1-4H3

InChIKey

YLOYKYXNDHOHHT-UHFFFAOYSA-N

Smiles

Cc1cc(c(c(c1C(=O)Oc2cc(c(c(c2C)O)C(=O)OC)C)O)C=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 195 deg C   EXP
log P (octanol-water) 6.860 (none)   EST
Atmospheric OH Rate Constant 2.18E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.