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Product Overview

Product Code

TRC-M260722

Product Format

Neat

Molecular Formula

C25H26D3N9O8 • x(C2HF3O2) • xH2SO4

Molecular Weight

586.5811402981

API Family

Methotrexate

Product Categories

TRC, Cancer Research Chemicals and Analytical Standards, Stable isotopes, Stable Isotope Labelled Analytical Standards, API Reference Standards & Research Materials

Product Type

Bioactive small molecule, Stable Isotope Labelled, Metabolite, API

Alternate CAS Number

Free amine: 432545-63-6

Unlabelled CAS Number

41600-13-9

Documentation

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Product Information

Chemical Data

Analyte Name

Methotrexate-d3 Diglutamate TFA Sulfate

Molecular Formula

C25H26D3N9O8 • x(C2HF3O2) • xH2SO4

Molecular Weight

586.5811402981

SMILES

OC(C(F)(F)F)=O.NC1=NC(N)=NC2=C1N=C(CN(C([2H])([2H])[2H])C3=CC=C(C(N[C@H](C(O)=O)CCC(O)=O)=O)C=C3)C=N2

InChI

InChI=1S/C20H22N8O5.C2HF3O2/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;3-2(4,5)1(6)7/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);(H,6,7)/t13-;/m0./s1/i1D3;

Alternate CAS Number

Free amine: 432545-63-6

Unlabelled CAS Number

41600-13-9

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Methotrexate

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Product Overview

Documentation

Product Information

Chemical Data

Product Data

Product citations

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Methotrexate-d3 Diglutamate Trifluoroacetate

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