Magnesium stearate - PharmPure™, USP, Ph.Eur. , CAS No.557-04-0

CAS: 557-04-0 Cat. No.: M110511 Formula: C₃₆H₇₀O₄Mg Molecular Weight: 591.24 Beilstein Registry Number: 3919702 EC Number: 209-150-3

GRADE & PURITY PharmPure™, USP, Ph.Eur.

Synonyms

MAGNESIUM STEARATE [MI] | Octadecanoic acid, magnesium salt (2:1) | D02189 | DTXSID2027208 | Magnesium distearate, pure | HQKMJHAJHXVSDF-UHFFFAOYSA-L | Synpro 90 | AI3-01638 | Magnesium distearate | Magnesium stearate (JP17/NF) | Dibasic magnesium stearat

Storage

Room temperature,Desiccated

Shipped In

Normal

Overview

It has been used as a tablet and capsule lubricant, and has also been used for preparing microcapsules.

Specifications

Synonyms

MAGNESIUM STEARATE [MI] | Octadecanoic acid, magnesium salt (2:1) | D02189 | DTXSID2027208 | Magnesium distearate, pure | HQKMJHAJHXVSDF-UHFFFAOYSA-L | Synpro 90 | AI3-01638 | Magnesium distearate | Magnesium stearate (JP17/NF) | Dibasic magnesium stearat

Specifications & Purity

PharmPure™, USP, Ph.Eur.

Storage

Room temperature,Desiccated

Shipped In

Normal

Grade

Ph.Eur., PharmPure™, USP

Names and Identifiers

Pubchem Sid

508815449

Canonical Smiles

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2]

IUPAC Name

magnesium;octadecanoate

InChIKey

HQKMJHAJHXVSDF-UHFFFAOYSA-L

INCHI

1S/2C18H36O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2]

RTECS

WI4390000

Molecular Weight

591.24

Beilstein

3919702

Reaxy-Rn

3919702

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3919702&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Straight chain fatty acids Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Long-chain fatty acid - Straight chain fatty acid - Carboxylic acid salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• External Descriptors: magnesium salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 591.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 30
• Exact Mass: 590.512 Da
• Monoisotopic Mass: 590.512 Da
• Topological Polar Surface Area: 80.300 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 196.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

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