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Substance Name: Benzaldehyde, 3,4-dihydroxy-5-methoxy-
RN: 3934-87-0
InChIKey: RRKMWVISRMWBAL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H8-O4

Molecular Weight

  • 168.1472
 
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Names and Synonyms

Synonyms

  • 3,4-Dihydroxy-5-methoxybenzaldehyde
  • 4-08-00-02718 (Beilstein Handbook Reference)
  • 5-Hydroxyvanillin
  • 5-Methoxyprotocatechualdehyde
  • BRN 1956546
  • EINECS 223-513-3
  • NSC 16679
  • Protocatechualdehyde, 5-methoxy-

Systematic Names

  • 3,4-Dihydroxy-5-methoxybenzaldehyde
  • Benzaldehyde, 3,4-dihydroxy-5-methoxy-
  • Protocatechualdehyde, 5-methoxy- (8CI)

Registry Numbers

CAS Registry Number

  • 3934-87-0

System Generated Number

  • 0003934870

Structure Descriptors

InChI

1S/C8H8O4/c1-12-7-3-5(4-9)2-6(10)8(7)11/h2-4,10-11H,1H3

InChIKey

RRKMWVISRMWBAL-UHFFFAOYSA-N

Smiles

COc1cc(C=O)cc(O)c1O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 650mg/kg (650mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Journal of Medicinal Chemistry. Vol. 7, Pg. 178, 1964.