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Substance Name: 3-Methoxybenzamide
RN: 5813-86-5
UNII: M8502TLK98
InChIKey: VKPLPDIMEREJJF-UHFFFAOYSA-N

Note

  • Inhibitor of poly ADP ribose synthetase.

Molecular Formula

  • C8-H9-N-O2

Molecular Weight

  • 151.164
 

Classification Codes

  • Antineoplastic Agents
  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
  • Poly(ADP-ribose) Polymerase Inhibitors
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Names and Synonyms

Name of Substance

  • 3-Methoxybenzamide

Synonyms

  • 3-Methoxybenzamide
  • 4-10-00-00326 (Beilstein Handbook Reference)
  • BRN 2206857
  • EINECS 227-379-7
  • m-Anisamide
  • m-Methoxybenzamide
  • NSC 209527
  • NSC 28589
  • UNII-M8502TLK98

Systematic Names

  • 3-Methoxybenzamide
  • Benzamide, 3-methoxy-

Registry Numbers

CAS Registry Number

  • 5813-86-5

FDA UNII

  • M8502TLK98

System Generated Number

  • 0005813865

Structure Descriptors

InChI

InChI=1S/C8H9NO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H2,9,10)

InChIKey

VKPLPDIMEREJJF-UHFFFAOYSA-N

Smiles

COc1cccc(c1)C(=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 28, Pg. 335, 1994.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 134 deg C   EXP
log P (octanol-water) 0.85 (none)   EXP
Water Solubility 1.41E+04 mg/L 25 EST
Vapor Pressure 1.11E-04 mm Hg 25 EST
Henry's Law Constant 1.31E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.19E-11 cm3/molecule-sec 25 EST

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