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Substance Name: Brodimoprim [INN]
RN: 56518-41-3
UNII: V1YC7T6LLI
InChIKey: BFCRRLMMHNLSCP-UHFFFAOYSA-N

Note

  • Inhibits dihydrofolate reductase.

Molecular Formula

  • C13-H15-Br-N4-O2

Molecular Weight

  • 339.1915
 

Classification Codes

  • Anti-Infective Agents
  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
  • Folic Acid Antagonists
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Names and Synonyms

Name of Substance

  • Brodimoprim
  • Brodimoprim [INN]

Synonyms

  • 5-((4-Bromo-3,5-dimethoxyphenyl)methyl)-2,4-pyrimidinediamine
  • 5-25-13-00394 (Beilstein Handbook Reference)
  • BRN 0760113
  • Brodimoprim
  • Brodimoprima
  • Brodimoprima [INN-Spanish]
  • Brodimoprime
  • Brodimoprime [INN-French]
  • Brodimoprimum
  • Brodimoprimum [INN-Latin]
  • Bromdimoprim
  • EINECS 260-238-8
  • Ro 10-5970
  • Ro 105970
  • UNII-V1YC7T6LLI

Systematic Names

  • 2,4-Diamino-5-(4-bromo-3,5-dimethoxybenzyl)pyrimidine
  • 2,4-Pyrimidinediamine, 5-((4-bromo-3,5-dimethoxyphenyl)methyl)-
  • Brodimoprim

Registry Numbers

CAS Registry Number

  • 56518-41-3

FDA UNII

  • V1YC7T6LLI

System Generated Number

  • 0056518413

Structure Descriptors

InChI

1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)

InChIKey

BFCRRLMMHNLSCP-UHFFFAOYSA-N

Smiles

COc1cc(cc(c1Br)OC)Cc2cnc(nc2N)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 8gm/kg (8000mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Journal of Chemotherapy. Vol. 5, Pg. 400, 1993.
mouse LD50 intravenous 104mg/kg (104mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Chemotherapy. Vol. 5, Pg. 400, 1993.
mouse LD50 oral 1054mg/kg (1054mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Chemotherapy. Vol. 5, Pg. 400, 1993.
rat LD50 intraperitoneal 3724mg/kg (3724mg/kg) BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Journal of Chemotherapy. Vol. 5, Pg. 400, 1993.
rat LD50 intravenous 147mg/kg (147mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Chemotherapy. Vol. 5, Pg. 400, 1993.
rat LD50 oral 2514mg/kg (2514mg/kg) BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Journal of Chemotherapy. Vol. 5, Pg. 400, 1993.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 225-228 deg C   EXP
log P (octanol-water) 2.01 (none)   EXP
Water Solubility 138 mg/L 25 EST
Vapor Pressure 6.04E-09 mm Hg 25 EST
Henry's Law Constant 1.61E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.73E-10 cm3/molecule-sec 25 EST

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