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Substance Name: Trimetrexate [USAN:INN:BAN]
RN: 52128-35-5
UNII: UPN4ITI8T4
InChIKey: NOYPYLRCIDNJJB-UHFFFAOYSA-N

Note

  • A nonclassical folic acid inhibitor through its inhibition of the enzyme dihydrofolate reductase. It is being tested for efficacy as an antineoplastic agent and as an antiparasitic agent against PNEUMOCYSTIS PNEUMONIA in AIDS patients. Myelosuppression is its dose-limiting toxic effect.

Molecular Formula

  • C19-H23-N5-O3

Molecular Weight

  • 369.423
 

Classification Codes

  • Anti-Infective Agents
  • Antifungal Agents
  • Antimetabolites
  • Antimetabolites, Antineoplastic
  • Antineoplastic
  • Antineoplastic Agents
  • Enzyme Inhibitors
  • Folic Acid Antagonists
  • Noxae
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Names and Synonyms

Name of Substance

  • Trimetrexate
  • Trimetrexate [USAN:INN:BAN]

MeSH Heading

  • Trimetrexate

Synonyms

  • 2,4-Diamino-5-methyl-6-((3,4,5-trimethoxyanilino)methyl)quinazoline
  • 2,4-Quinazolinediamine, 5-methyl-6-(((3,4,5-trimethoxyphenyl)amino)methyl)-
  • 5-Methyl-6-(((3,4,5-trimethoxyphenyl)amino)methyl)-2,4-quinazolinediamine
  • CI 898
  • CI-898
  • HSDB 6545
  • JB 11
  • Jb-11
  • NSC 249008
  • NSC-249008
  • TMQ
  • Trimetrexate
  • Trimetrexato
  • Trimetrexato [INN-Spanish]
  • Trimetrexatum
  • Trimetrexatum [INN-Latin]
  • UNII-UPN4ITI8T4

Systematic Name

  • 2,4-Quinazolinediamine, 5-methyl-6-(((3,4,5-trimethoxyphenyl)amino)methyl)-

Registry Numbers

CAS Registry Number

  • 52128-35-5

FDA UNII

  • UPN4ITI8T4

System Generated Number

  • 0052128355

Structure Descriptors

InChI

InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)

InChIKey

NOYPYLRCIDNJJB-UHFFFAOYSA-N

Smiles

COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 215-217 deg C   EXP
log P (octanol-water) 2.55 (none)   EXP
Water Solubility 31.4 mg/L 25 EST
Vapor Pressure 6.03E-12 mm Hg 25 EST
Henry's Law Constant 1.81E-18 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.11E-10 cm3/molecule-sec 25 EST

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