Cysteamine Bitartrate - ≥98% , CAS No.27761-19-9

CAS: 27761-19-9 Cat. No.: C1257628 分子式: C₆H₁₃NO₆S 分子量: 227.24 EC番号: 248-641-7 PubChem CID: 23111531

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

カノニカル・スマイル

C(CS)N.C(C(C(=O)O)O)(C(=O)O)O

IUPAC Name

2-aminoethanethiol;2,3-dihydroxybutanedioic acid

InChIKey

NSKJTUFFDRENDM-UHFFFAOYSA-N

INCHI

1S/C4H6O6.C2H7NS/c5-1(3(7)8)2(6)4(9)10;3-1-2-4/h1-2,5-6H,(H,7,8)(H,9,10);4H,1-3H2

異性体SMILES

C(CS)N.C(C(C(=O)O)O)(C(=O)O)O

代替CAS番号

27761-19-9

PubChem CID

23111531

MeSH用語

2 Aminoethanethiol;2-Aminoethanethiol;35S-Labeled Cysteamine;Becaptan;beta Mercaptoethylamine;beta-Mercaptoethylamine;Bitartrate, Cysteamine;Cystagon;Cysteamine;Cysteamine Bitartrate;Cysteamine Dihydrochloride;Cysteamine Hydrobromide;Cysteamine Hydrochlor

分子量

227.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Sugar acids and derivatives
• Alternative Parents: Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Monosaccharides Fatty acids and conjugates Dicarboxylic acids and derivatives Alpha hydroxy acids and derivatives Secondary alcohols 1,2-diols Carboxylic acids Alkylthiols Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Beta-hydroxy acid - Short-chain hydroxy acid - Sugar acid - Fatty acid - Alpha-hydroxy acid - Dicarboxylic acid or derivatives - Monosaccharide - Hydroxy acid - 1,2-diol - Secondary alcohol - Alkylthiol - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organosulfur compound - Primary amine - Carbonyl group - Alcohol - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.
• External Descriptors: tartrate - thiol

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

化学的性質と物理的性質

• 分子量: 227.240 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 227.046 Da
• Monoisotopic Mass: 227.046 Da
• Topological Polar Surface Area: 142.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 144.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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