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Product Overview

Product Code

TRC-C414890

CAS Number

1492952-76-7

Product Format

Neat

Molecular Formula

C20 H18 Cl F2 N5 O3

Molecular Weight

449.838

Product Categories

TRC, API Reference Standards & Research Materials

Product Type

API

Documentation

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Product Information

Chemical Data

Analyte Name

Asciminib

CAS Number

1492952-76-7

Molecular Formula

C20 H18 Cl F2 N5 O3

Molecular Weight

449.838

Accurate Mass

449.107

SMILES

O[C@@H]1CCN(C1)c2ncc(cc2c3ccn[nH]3)C(=O)Nc4ccc(OC(F)(F)Cl)cc4

InChI

InChI=1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-13(2-4-15)26-19(30)12-9-16(17-5-7-25-27-17)18(24-10-12)28-8-6-14(29)11-28/h1-5,7,9-10,14,29H,6,8,11H2,(H,25,27)(H,26,30)/t14-/m1/s1

IUPAC

N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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