(2R,4S)-4-Amino-5-(biphenyl-4-yl)-2-methylpentanoic acid ethyl ester hydrochloride - CAS 149690-12-0
Catalog: |
BB043564 |
Product Name: |
(2R,4S)-4-Amino-5-(biphenyl-4-yl)-2-methylpentanoic acid ethyl ester hydrochloride |
CAS: |
149690-12-0 |
Synonyms: |
Ethyl (2R,4S)-4-amino-5-(4-biphenylyl)-2-methylpentanoate hydrochloride; (αR,γS)-γ-Amino-α-methyl-[1,1'-biphenyl]-4-pentanoic Acid Ethyl Ester Hydrochloride; (2R,4S)-ethyl 5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoate hydrochloride |
Related CAS: | 752174-62-2 (free base)
|
IUPAC Name: | ethyl (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride |
Description: | (2R,4S)-4-Amino-5-(biphenyl-4-yl)-2-methylpentanoic acid ethyl ester hydrochloride is an impurity of Sacubitril, an endopeptidase inhibitor that is effective in the treatment of hypertension and heart failure. |
Molecular Weight: | 347.88 |
Molecular Formula: | C20H26ClNO2 |
Canonical SMILES: | CCOC(=O)C(C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)N.Cl |
InChI: | InChI=1S/C20H25NO2.ClH/c1-3-23-20(22)15(2)13-19(21)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17;/h4-12,15,19H,3,13-14,21H2,1-2H3;1H/t15-,19+;/m1./s1 |
InChI Key: | MYJTZLYRAWUSLB-WSCVZUBPSA-N |
Melting Point: | 155-162°C |
Solubility: | Soluble in DMSO, Methanol |
Appearance: | White to Off-white Solid |
Storage: | Store at -20°C |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]; H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P313, P362+P364, P391, and P501 |
Signal Word: | Warning |
Complexity: | 344 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 347.1652068 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 347.1652068 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Amines and Anilines
Carbonyl Compounds
Customers Also Viewed
-
[1121-84-2]
4-methyltetrahydro-2H-pyran-2-one
-
[6315-52-2]
Ethylene di(p-toluenesulfonate)
-
[94086-78-9]
Isopropyl 4-[4-[N,N-bis(2-hydroxyethyl)amino]phenyl]butyrate
-
[582-16-1]
2,7-Dimethylnaphthalene
-
[1147737-68-5]
1,4-di-tert-butyl-2,5-bis(2,2,2-trifluoro-ethoxy)benzene
-
[132182-92-4]
Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)-
INDUSTRY LEADERS TRUST OUR PRODUCTS