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Product Overview

Product Code

TRC-A619600

CAS Number

136672-64-5

Product Format

Neat

Molecular Formula

C25H34N10O4

Molecular Weight

538.6

API Family

Methotrexate

Product Categories

TRC, Impurity Reference Materials , API Reference Standards & Research Materials

Product Type

API

Documentation

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Product Information

Chemical Data

Analyte Name

N-(5-Aminopentyl) Methotrexate Amide

CAS Number

136672-64-5

Molecular Formula

C25H34N10O4

Molecular Weight

538.6

Accurate Mass

538.2764

SMILES

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)NCCCCCN)C(=O)O

InChI

InChI=1S/C25H34N10O4/c1-35(14-16-13-30-22-20(31-16)21(27)33-25(28)34-22)17-7-5-15(6-8-17)23(37)32-18(24(38)39)9-10-19(36)29-12-4-2-3-11-26/h5-8,13,18H,2-4,9-12,14,26H2,1H3,(H,29,36)(H,32,37)(H,38,39)(H4,27,28,30,33,34)/t18-/m0/s1

IUPAC

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

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Methotrexate

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