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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
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- Classifications
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- Registry Numbers
- Structure Descriptors
- Physical Properties
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-NSmiles
COc1cc(NCc2ccc3nc(N)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.