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Sacubitril Calcium Salt

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Sacubitril Calcium Salt / CAS : 1369773-39-6

Appearance white crystal UN 2811
HS - DG Class 6.1
Synonyms AHU-377 Hemicalcium salt; AHU377 Calcium salt; (Alphar,Gammas)-Gamma-[(3-Carboxy-1-Oxopropyl)Amino]-Alpha-Methyl-[1,1'-Biphenyl]-4-Pentanoic acid 4-Ethyl Ester Calcium salt; (αR,γS)-γ-[(3-Carboxy-1-Oxopropyl)Amino]-α-Methyl-[1,1'-Biphenyl]-4-Pentanoic acid 4-Ethyl Ester Calcium salt; Sacubitril Hemicalcium
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Properties

Summary

Formula
C48H56CaN2O10
Molecular Mass
861.04400
Exact Mass
860.35600
PSA
191.06000
Logp
5.78240
IUPAC
calcium;4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoate
SMILES
CCOC(=O)C(C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)[O-].CCOC(=O)C(C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)[O-].[Ca+2]

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Appearance
white crystal

Export information

UN No.
2811
DG-Class
6.1

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