Sodium stearate - PharmPure™, USP, used for Stability test of novel combined formulated dry powder inhalation system containing antibiotic: physical characterization and in vitro-in silico lung deposition results.This study investigates a novel dry powder

CAS: 822-16-2 Cat. No.: S108362 분자식: C₁₈H₃₅NaO₂ 분자량: 306.46 Beilstein Registry Number: 3576813 EC 번호: 212-490-5 PubChem CID: 2724691

등급 & 순도 PharmPure™, USP

Synonyms

HSDB 5759 | HY-W099570 | Stearic acid, sodium salt | Octadecanoic acid, sodium salt | RYYKJJJTJZKILX-UHFFFAOYSA-M | INS NO.470(I)STEARIC ACID, SODIUM SALT | Prifer 1634 | SODIUM STEARATE [INCI] | C18H35NaO2 | Nonsoul sn 15 | Sodium stearate, pure | MFCD00

Storage

Store at 2-8°C

Shipped In

Wet ice

사양

동의어

HSDB 5759 | HY-W099570 | Stearic acid, sodium salt | Octadecanoic acid, sodium salt | RYYKJJJTJZKILX-UHFFFAOYSA-M | INS NO.470(I)STEARIC ACID, SODIUM SALT | Prifer 1634 | SODIUM STEARATE [INCI] | C18H35NaO2 | Nonsoul sn 15 | Sodium stearate, pure | MFCD00

사양 및 순도

PharmPure™, USP

애플리케이션

Stability test of novel combined formulated dry powder inhalation system containing antibiotic: physical characterization and in vitro-in silico lung deposition results.This study investigates a novel dry powder inhalation system formulated with an antibi

보관 조건

Store at 2-8°C

배송

Wet ice

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등급

PharmPure™, USP

이름과 식별자

Pubchem Sid

528774161

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528774161

정식 스마일

CCCCCCCCCCCCCCCCCC(=O)[O-].[Na+]

IUPAC Name

sodium;octadecanoate

InChIKey

RYYKJJJTJZKILX-UHFFFAOYSA-M

INCHI

1S/C18H36O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1

이성체 SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].[Na+]

WGK 독일

1

RTECS

WI4725000

PubChem CID

2724691

분자량

306.46

Beilstein

3576813

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Carboxylic acid salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: 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: Not available

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

관련 대상(인간)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Slowly soluble in cold water. Solubility increases with temperature
• 녹는점(°C): 220 °C
• 분자량: 306.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 306.253 Da
• Monoisotopic Mass: 306.253 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 207.000
• 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: 2

XLogP3