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Substance Name: Protocatechuic acid, 5-bromo-
RN: 61203-46-1
InChIKey: XCTQCHNCFZFEGN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H5-Br-O4

Molecular Weight

  • 233.016
 
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Names and Synonyms

Synonyms

  • 1-10-00-00192 (Beilstein Handbook Reference)
  • 5-Bromo-3,4-dihydroxybenzoic acid
  • 5-Bromoprotocatechuic acid
  • BRN 2368710
  • EINECS 262-652-4

Systematic Names

  • 3-Bromo-4,5-dihydroxybenzoic acid
  • Protocatechuic acid, 5-bromo-

Registry Numbers

CAS Registry Number

  • 61203-46-1

System Generated Number

  • 0061203461

Structure Descriptors

InChI

1S/C7H5BrO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,9-10H,(H,11,12)

InChIKey

XCTQCHNCFZFEGN-UHFFFAOYSA-N

Smiles

C(c1cc(c(c(c1)O)O)Br)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   Progress in Medical Chemistry. Vol. 5, Pg. 59, 1967.