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Product Overview

Product Code

TRC-S080900

CAS Number

1369773-39-6

Product Format

Neat

Molecular Formula

C24H28NO-5 1/2Ca2+

Molecular Weight

430.52

API Family

Sacubitril

Product Categories

Bioactive small molecules, Antihypertensives, Cardiac drugs and beta blockers, TRC, Chiral catalysts, ligands, & reagents

Product Type

Synthesis Tools, API

Alternate CAS Number

Free acid: 149709-62-6

Purity

>95% (HPLC)

Drug Type

Cardiac Drugs

Documentation

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Product Information

Chemical Data

Analyte Name

Sacubitril Calcium

CAS Number

1369773-39-6

Molecular Formula

C24H28NO-5 1/2Ca2+

Molecular Weight

430.52

Accurate Mass

860.3561

SMILES

C([C@H](C[C@H](C(OCC)=O)C)NC(CCC(O)=O)=O)C1=CC=C(C=C1)C2=CC=CC=C2.[Ca]

InChI

InChI=1S/2C24H29NO5.Ca/c2*1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19;/h2*4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28);/q;;+2/p-2/t2*17-,21+;/m11./s1

IUPAC

calcium;4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoate

Alternate CAS Number

Free acid: 149709-62-6

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Sacubitril

Purity

>95% (HPLC)

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