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Trimetrexate

CAT: 1410-M14831-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M14831-02Size:5 mg
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Description
A quinazoline derivative and antifolate agent that fuctions as a dihydrofolate reductase (DHFR) inhibitor.
CAS Number
52128-35-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
369.4176
Molecular Formula
C19H23N5O3
Notes
Research use only, not for human use.
Receptor
Antifolate

Chemical Information

Trimetrexate

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

CAS Number52128-35-5
PubChem CID5583
IUPAC Name5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine
Molecular FormulaC19H23N5O3
Molecular Weight369.4
XLogP2.5
Topological Polar Surface Area118
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity457
SMILES
CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC
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
Chemical Structure
2D Structure
2D structure of Trimetrexate
CAS: 52128-35-5
CID: 5583
Formula: C19H23N5O3
MW: 369.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.4
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass369.18008961
Monoisotopic Mass369.18008961
Topological Polar Surface Area118 Ų
Heavy Atom Count27
Formal Charge0
Complexity457
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-T798205-100MGTrimetrexate
T63985-01Trimetrexate glucuronate
A12796-5Trimetrexate 5mg
HY-10373BTrimetrexate (isethionate)
TRC-T798206-100MGTrimetrexate-d9
IRC52097-01Trimetrexate trihydrochloride
A12796-50Trimetrexate 50mg
HY-10373ATrimetrexate (trihydrochloride)
HY-103396-01Trimetrexate (glucuronate)
A12796-25Trimetrexate 25mg

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