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173334-57-1

173334-57-1 structural image
Product Name: Aliskiren
Formula: C30H53N3O6
Synonyms: (2S,4S,5S,7S)-5-Amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methylnonanamide
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Boiling Point 748.4±60.0
Melting Point >95
Solubility Highly soluble in water (as hemifumarate salt)
LogP 2.45
Dissociation Constants 9.49
Other Experimental Properties White to slightly yellowish crystalline powder; MW: 609.8; soluble in phosphate buffer, n-octanol and highly soluble in water /Aliskiren hemifumarate/

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 551.8 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 19
Exact Mass 551.39343642 g/mol
Monoisotopic Mass 551.39343642 g/mol
Topological Polar Surface Area 146 Ų
Heavy Atom Count 39
Formal Charge 0
Complexity 717
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Aliskiren is a monomethoxybenzene compound having a 3-methoxypropoxy group at the 2-position and a multi-substituted branched alkyl substituent at the 4-position. It has a role as an antihypertensive agent. It is a monomethoxybenzene and a monocarboxylic acid amide.

RELATED SUPPLIERS

Laurus Labs Ltd

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product:173334-57-1 Aliskiren 98%
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