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Product Overview

Product Code

TRC-M260700

CAS Number

66147-29-3

EP Description

Methotrexate EP Impurity I

Product Format

Neat

Molecular Formula

C21 H24 N8 O5

Molecular Weight

468.47

API Family

Methotrexate

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity

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Product Information

Chemical Data

Analyte Name

Methotrexate alpha-Methyl Ester

CAS Number

66147-29-3

Molecular Formula

C21 H24 N8 O5

Molecular Weight

468.47

Accurate Mass

468.187

SMILES

NC=1C2=C(N=CC(CN(C)C3=CC=C(C(N[C@@H](CCC(O)=O)C(OC)=O)=O)C=C3)=N2)N=C(N)N1

InChI

InChI=1S/C21H24N8O5/c1-29(10-12-9-24-18-16(25-12)17(22)27-21(23)28-18)13-5-3-11(4-6-13)19(32)26-14(20(33)34-2)7-8-15(30)31/h3-6,9,14H,7-8,10H2,1-2H3,(H,26,32)(H,30,31)(H4,22,23,24,27,28)/t14-/m0/s1

IUPAC

(4S)-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-methoxy-5-oxopentanoic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Methotrexate

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Chemical Data

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Methotrexate a-Methyl Ester (>90%)

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