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Product Overview

Product Code

TRC-L486650

CAS Number

193281-00-4

Product Format

Neat

Molecular Formula

C20 H21 N5 O7

Molecular Weight

443.41

API Family

Pemetrexed

Product Categories

TRC, Additional pharmaceutical toxicology reference materials, Impurity Reference Materials , P21 Protein Kinase, Neurotransmission

Product Type

Impurity, Metabolite

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

LY-338979

CAS Number

193281-00-4

Molecular Formula

C20 H21 N5 O7

Molecular Weight

443.41

Accurate Mass

443.1441

SMILES

NC1=NC2=C(C(CCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)N2)C(=O)N1

InChI

InChI=1S/C20H21N5O7/c21-20-24-15-14(18(30)25-20)11(17(29)23-15)6-3-9-1-4-10(5-2-9)16(28)22-12(19(31)32)7-8-13(26)27/h1-2,4-5,11-12H,3,6-8H2,(H,22,28)(H,26,27)(H,31,32)(H4,21,23,24,25,29,30)/t11?,12-/m0/s1

IUPAC

(2S)-2-[[4-[2-(2-amino-4,6-dioxo-5,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Pemetrexed

Purity

>95% (HPLC)

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