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Substance Name: Trimetrexate glucuronate [USAN]
RN: 82952-64-5
UNII: L137U4A79K
InChIKey: ZCJXQWYMBJYJNB-LRDBBFHQSA-N

Notes

  • 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.
  • An orphan drug and AIDS drug; used for treatment of Pneumocytis carinii pneumonia in patients with AIDS.

Molecular Formula

  • C19-H23-N5-O3.C6-H10-O7

Molecular Weight

  • 563.5607
 

Classification Codes

  • Antineoplastic
  • Drug / Therapeutic Agent
  • Human Data
  • Mutation Data
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Names and Synonyms

Name of Substance

  • Trimetrexate D-glucuronate
  • Trimetrexate glucuronate
  • Trimetrexate glucuronate [USAN]

Synonyms

  • 2,4-Diamino-5-methyl-6-((3,4,5-trimethoxyanilino)methyl)quinazoline mono-D-glucuronate
  • 2,4-Quinazolinediamine, 5-methyl-6-(((3,4,5-trimethoxyphenyl)amino)methyl)-, mono-D-glucuronate
  • 6-(((3,4,5-Trimethoxyphenyl)amino)methyl)-5-methyl-2,4-quinazolinediamine glucuronate
  • CI 898
  • DRG-0183
  • Neutrexin
  • Trimetrexate glucuronate
  • Trimetrexate glucuronic acid salt
  • UNII-L137U4A79K

Systematic Names

  • 2,4-Quinazolinediamine, 5-methyl-6-(((3,4,5-trimethoxyphenyl)amino)methyl)-, mono-D-glucuronate
  • D-Glucuronic acid, compd. with 5-methyl-6-(((3,4,5-trimethoxyphenyl)amino)methyl)-2,4-quinazolinediamine (1:1)

Superlist Name

  • Trimetrexate glucuronate

Registry Numbers

CAS Registry Number

  • 82952-64-5

FDA UNII

  • L137U4A79K

System Generated Number

  • 0082952645

Molecular Formulas

Molecular Formula

  • C19-H23-N5-O3.C6-H10-O7

Molecular Formula Fragments

  • C19-H23-N5-O3
  • C6-H10-O7
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C19H23N5O3.C6H10O7/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;7-1-2(8)3(9)4(10)5(11)6(12)13/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24);1-5,8-11H,(H,12,13)/t;2-,3+,4-,5-/m.0/s1

InChIKey

ZCJXQWYMBJYJNB-LRDBBFHQSA-N

Smiles

COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC.O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human LDLo intravenous 2027ug/kg (2.027mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

GASTROINTESTINAL: OTHER CHANGES

BLOOD: THROMBOCYTOPENIA		 Cancer Research. Vol. 47, Pg. 3303, 1987.
human TDLo intravenous 4054mg/kg/3W- (4054mg/kg) BLOOD: CHANGES IN BONE MARROW NOT INCLUDED ABOVE Cancer Research. Vol. 47, Pg. 3303, 1987.
rat LDLo intravenous 60mg/kg (60mg/kg)   Fundamental and Applied Toxicology. Vol. 18, Pg. 115, 1992.