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Product Overview

Product Code

TRC-M260753

CAS Number

7413-34-5

Product Format

Neat

Molecular Formula

C20H20N8Na2O5

Molecular Weight

498.4

API Family

Methotrexate

Product Categories

Enzyme agonists & antagonists, Cancer Research Chemicals and Analytical Standards, TRC, Pharmaceutical Toxicology Reference Materials

Product Type

Bioactive Small Molecule

Alternate CAS Number

Free base: 59-05-2

Documentation

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Product Information

Chemical Data

Analyte Name

Methotrexate Disodium Salt

CAS Number

7413-34-5

Molecular Formula

C20H20N8Na2O5

Molecular Weight

498.4

Accurate Mass

498.1352

SMILES

NC1=NC(N)=NC2=C1N=C(CN(C)C3=CC=C(C(NC(C(O[Na])=O)CCC(O[Na])=O)=O)C=C3)C=N2

InChI

InChI=1S/C20H22N8O5.2Na/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;;/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);;/q;2*+1/p-2/t13-;;/m0../s1

IUPAC

disodium;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate

Alternate CAS Number

Free base: 59-05-2

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Methotrexate

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Product Overview

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Methotrexate Disodium Salt

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