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Substance Name: Tetroxoprim [USAN:INN:BAN]
RN: 53808-87-0
UNII: 5R6712AY0K
InChIKey: WSWJIZXMAUYHOE-UHFFFAOYSA-N

Classification Codes

  • Anti-Infective Agents
  • Antibacterial
  • Chemotherapeutic
  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-N4-O4

Molecular Weight

  • 334.3738
 
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Names and Synonyms

Name of Substance

  • Tetroxoprim
  • Tetroxoprim [USAN:INN:BAN]

Synonyms

  • 2,4-Diamino-5-(3,5-dimethoxy-4-(2-methoxyethoxy)benzyl)pyrimidine
  • 2,4-Pyrimidinediamine, 5-((3,5-dimethoxy-4-(2-methoxyethoxy)phenyl)methyl)-
  • 5-((3,5-Dimethoxy-4-(2-methoxyethoxy)phenyl)methyl)-2,4-pyrimidinediamine
  • 5-25-13-00437 (Beilstein Handbook Reference)
  • BRN 4271695
  • BW 32 U
  • EINECS 258-789-4
  • He 781
  • Sterinor
  • Tetroxoprim
  • Tetroxoprima
  • Tetroxoprima [INN-Spanish]
  • Tetroxoprima [Spanish]
  • Tetroxoprime
  • Tetroxoprime [INN-French]
  • Tetroxoprimum
  • Tetroxoprimum [INN-Latin]
  • UNII-5R6712AY0K

Systematic Names

  • 2,4-Pyrimidinediamine, 5-((3,5-dimethoxy-4-(2-methoxyethoxy)phenyl)methyl)-
  • 5-((3,5-Dimethoxy-4-(2-methoxyethoxy)phenyl)methyl)pyrimidinediamine
  • Pyrimidine, 2,4-diamino-5-(3,5-dimethoxy-4-(2-methoxyethoxy)benzyl)-
  • Tetroxoprim

Registry Numbers

CAS Registry Number

  • 53808-87-0

FDA UNII

  • 5R6712AY0K

System Generated Number

  • 0053808870

Structure Descriptors

InChI

1S/C16H22N4O4/c1-21-4-5-24-14-12(22-2)7-10(8-13(14)23-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20)

InChIKey

WSWJIZXMAUYHOE-UHFFFAOYSA-N

Smiles

COCCOc1c(cc(cc1OC)Cc2cnc(nc2N)N)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1410mg/kg (1410mg/kg)   Journal of Chemotherapy. Vol. 5, Pg. 400, 1993.
mouse LD50 intravenous 192mg/kg (192mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE
Drugs of the Future. Vol. 4, Pg. 895, 1979.
mouse LD50 oral 1060mg/kg (1060mg/kg)   Journal of Chemotherapy. Vol. 5, Pg. 400, 1993.
rat LD50 intravenous 300mg/kg (300mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Drugs of the Future. Vol. 4, Pg. 895, 1979.
rat LD50 oral 1172mg/kg (1172mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Drugs of the Future. Vol. 4, Pg. 895, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 154 deg C   EXP
pKa Dissociation Constant 5.75 (none)   EXP
log P (octanol-water) 0.56 (none)   EXP
Water Solubility 2650 mg/L 30 EXP
Vapor Pressure 8.33E-10 mm Hg 25 EST
Henry's Law Constant 3.71E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.17E-10 cm3/molecule-sec 25 EST

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