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Substance Name: Irsogladine [INN]
RN: 57381-26-7
UNII: QBX79NZC1D
InChIKey: ATCGGEJZONJOCL-UHFFFAOYSA-N

Classification Codes

  • Anti-Ulcer Agents
  • Anticarcinogenic Agents
  • Antineoplastic Agents
  • Drug / Therapeutic Agent
  • Gastrointestinal Agents
  • Protective Agents
  • Radiation-Protective Agents

Molecular Formula

  • C9-H7-Cl2-N5

Molecular Weight

  • 256.095
 
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Names and Synonyms

Name of Substance

  • Irsogladine
  • Irsogladine [INN]

Synonyms

  • 2,4-Diamino-6-(2,5-dichlorophenyl)-1,3,5-triazine
  • 6-(2,5-Dichlorophenyl)-1,3,5-triazine-2,4-diamine
  • Irsogladina
  • Irsogladina [Spanish]
  • Irsogladine
  • Irsogladinum
  • Irsogladinum [Latin]
  • UNII-QBX79NZC1D

Systematic Names

  • 1,3,5-Triazine-2,4-diamine, 6-(2,5-dichlorophenyl)-
  • 2,4-Diamino-6-(2,5-dichlorophenyl)-s-triazine

Registry Numbers

CAS Registry Number

  • 57381-26-7

FDA UNII

  • QBX79NZC1D

Related Registry Number

  • 84504-69-8 (maleate)

System Generated Number

  • 0057381267

Structure Descriptors

InChI

1S/C9H7Cl2N5/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16)

InChIKey

ATCGGEJZONJOCL-UHFFFAOYSA-N

Smiles

Clc1cc(c2nc(nc(n2)N)N)c(Cl)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 1740mg/kg (1740mg/kg)   United States Patent Document. Vol. #4657907,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 268-269 deg C   EXP
log P (octanol-water) 1.97 (none)   EXP
Water Solubility 455 mg/L 25 EST
Vapor Pressure 5.84E-08 mm Hg 25 EST
Henry's Law Constant 2.26E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.65E-13 cm3/molecule-sec 25 EST

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