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Isotope Labeled Active Pharmaceutical Ingredients (APIs)
Sacubitril Calcium-[13C4]

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Sacubitril Calcium-[13C4]

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General Information
Catalog: BLP-004184
Molecular Formula: C20[13C]4H28NO5.1/2Ca
Molecular Weight: 434.50

Chemical Structure

Description	Labelled Sacubitril. Sacubitril, also known as AHU377 or LCZ696, is an angiotensin receptor neprilysin inhibitor being studied for use in combination with valsartan for heart failure. Sacubitril is a prodrug that is activated to LBQ657 by de-ethylation via esterases. LBQ657 inhibits the enzyme neprilysin, which is responsible for the degradation of atrial and brain natriuretic peptide, two blood pressure lowering peptides that work mainly by reducing blood volume.
Synonyms	[S-(R,S)]-[1,1'-Biphenyl]-4-pentanoic Acid,γ-[(3-carboxy-1-oxopropyl)amino]-α-methyl-Ethyl Ester-13C4 Calcium
Related CAS	1369773-39-6 (unlabelled) 149709-62-6 (unlabelled free acid)
Canonical SMILES	CCOC(=O)C(C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O.[Ca]
InChI	InChI=1S/C24H29NO5.Ca/c1-3-30-24(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;/h4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28);/t17-,21+;/m1./s1/i13+1,14+1,22+1,23+1;
InChI Key	SLERTBUHPREHKD-XIKWNFOHSA-N
Purity	99% by HPLC; 99% atom 13C
Appearance	Off-white Solid

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