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Product Overview

Product Code

TRC-R100500

CAS Number

112887-68-0

Product Format

Neat

Molecular Formula

C21 H22 N4 O6 S

Molecular Weight

458.49

API Family

Raltitrexed

Product Categories

TRC, Enzyme inhibitors, API Reference Standards & Research Materials, Enzyme inhibitors, Pharmaceutical Toxicology Reference Materials

Product Type

API, Synthesis tool

Documentation

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Product Information

Chemical Data

Analyte Name

Raltitrexed

CAS Number

112887-68-0

Molecular Formula

C21 H22 N4 O6 S

Molecular Weight

458.49

Accurate Mass

458.126

SMILES

CN(Cc1ccc2NC(=NC(=O)c2c1)C)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1

IUPAC

(2S)-2-[[5-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Raltitrexed

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