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52128-35-5

52128-35-5 structural image
Product Name: Trimetrexate
Formula: C19H23N5O3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 215-217 °C
Solubility 31.4 mg/L
LogP 2.55
Stability/Shelf Life Bulk: A sample stored at 60 °C for 30 days showed no decomposition (UV, HPLC). Solution: A solution in 5% methanol (0.5 mg/mL) showed no decomposition after 9 days (UV). A solution in 5% dimethylacetamide /pH 4 acetate buffer showed no decomposition after 48 hours(HPLC).
Dissociation Constants 8.0
Other Experimental Properties Crystals from aqueous acetic acid; mp: 215-217 °C; poorly sol in water. /Trimetrexate monoacetate monohydrate/

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 369.4 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 6
Exact Mass 369.18008961 g/mol
Monoisotopic Mass 369.18008961 g/mol
Topological Polar Surface Area 118 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 457
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Trimetrexate is a member of quinazolines. It has a role as an antifungal drug.