Galamustine - ≥95% , CAS No.105618-02-8

CAS: 105618-02-8 Cat. No.: G1010895 PubChem CID: 65891

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C(CCl)N(CCCl)CC1C(C(C(C(O1)O)O)O)O
• IUPAC Name: (3R,4S,5R,6R)-6-[bis(2-chloroethyl)aminomethyl]oxane-2,3,4,5-tetrol
• InChIKey: COKGUJJIBXWRNV-CYNREMDZSA-N
• INCHI: 1S/C10H19Cl2NO5/c11-1-3-13(4-2-12)5-6-7(14)8(15)9(16)10(17)18-6/h6-10,14-17H,1-5H2/t6-,7+,8+,9-,10?/m1/s1
• Isómeros SMILES: C(CCl)N(CCCl)C[C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O
• CAS alternativo: 105618-02-8,107811-63-2 (hydrochloride)
• PubChem CID: 65891
• Términos de entrada MeSH: 6-(bis(2-chloroethyl)amino)-6-deoxygalactopyranose;6-bis-(2-chloroethyl)amino-6-deoxygalactopyranose;C6-galactose mustard;C6-galactose mustard hydrochloride;C6-GLM;galactose-6-mustard

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Nitrogen mustard compounds

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Nitrogen mustard compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrogen mustard compounds
• Alternative Parents: Aminosaccharides Oxanes Monosaccharides Trialkylamines Secondary alcohols Hemiacetals Polyols Oxacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Nitrogen mustard - Amino saccharide - Monosaccharide - Oxane - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Hemiacetal - Organoheterocyclic compound - Oxacycle - Polyol - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Alcohol - Amine - Alkyl halide - Alkyl chloride - Organopnictogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrogen mustard compounds. These are compounds having two beta-haloalkyl groups bound to a nitrogen atom.
• 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

Propiedades químicas y físicas

• Peso molecular: 304.160 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 303.064 Da
• Monoisotopic Mass: 303.064 Da
• Topological Polar Surface Area: 93.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 242.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1