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Product Overview

Product Code

TRC-M260720

Product Format

Neat

Molecular Formula

C25H29N9O8 xC2HF3O2

Molecular Weight

583.55

API Family

Methotrexate

Product Categories

TRC, Chiral Molecules , Impurity Reference Materials

Product Type

Metabolite

Alternate CAS Number

Free amine: 41600-13-9

Documentation

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Product Information

Chemical Data

Analyte Name

Methotrexate Diglutamate Trifluoroacetate

Molecular Formula

C25H29N9O8 xC2HF3O2

Molecular Weight

583.55

SMILES

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

InChI

InChI=1S/C25H31N9O8.C2HF3O2/c1-34(11-15-10-28-22-20(30-15)21(26)32-25(27)33-22)16-5-2-13(3-6-16)23(38)31-17(24(39)40)7-8-18(35)29-14(12-42-41)4-9-19(36)37;3-2(4,5)1(6)7/h2-3,5-6,10,14,17,41H,4,7-9,11-12H2,1H3,(H,29,35)(H,31,38)(H,36,37)(H,39,40)(H4,26,27,28,32,33);(H,6,7)/t14-,17-;/m0./s1

Alternate CAS Number

Free amine: 41600-13-9

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

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Chemical Data

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Methotrexate Diglutamate Trifluoroacetate

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