Trimetrexate glucuronateProduct ingredient for Trimetrexate
- Name
- Trimetrexate glucuronate
- Drug Entry
- Trimetrexate
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.
- Accession Number
- DBSALT002433
- Structure
Structure for Trimetrexate glucuronate (DBSALT002433)
- Synonyms
- Not Available
- External IDs
- CI 898
- UNII
- L137U4A79K
- CAS Number
- 82952-64-5
- Weight
- Average: 563.564
Monoisotopic: 563.222742283 - Chemical Formula
- C25H33N5O10
- InChI Key
- ZCJXQWYMBJYJNB-LRDBBFHQSA-N
- 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
- IUPAC Name
- (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid; 5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}quinazoline-2,4-diamine
- SMILES
- O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O.COC1=CC(NCC2=CC=C3N=C(N)N=C(N)C3=C2C)=CC(OC)=C1OC
- External Links
- ChemSpider
- 49620
- Wikipedia
- Trimetrexate
- Predicted Properties
Property Value Source Water Solubility 0.0309 mg/mL ALOGPS logP 2.36 ALOGPS logP 2.28 Chemaxon logS -4.1 ALOGPS pKa (Strongest Acidic) 17.04 Chemaxon pKa (Strongest Basic) 7.54 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 117.54 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 107.7 m3·mol-1 Chemaxon Polarizability 40.3 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon