Etoglucid , DNA cross-linking agent, CAS No.1954-28-5, DNA cross-linking agent

CAS: 1954-28-5 Cat. No.: E670923 Fórmula: C₁₂H₂₂O₆ Peso molecular: 262.3

Synonyms

Etoglucid | ICI32865 | Etoglucido [INN-Spanish] | 2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane | 4,10,13-Tetraoxahexadecane, 1,2:15,16-diepoxy- | ETOGLUCID [MI] | Etoglucidum | Ethane,2-bis[2-(2,3-epoxypropoxy)ethoxy]- | 1,2-Bis(2-(2,

Storage

Room temperature

Especificaciones

Sinónimos

Etoglucid | ICI32865 | Etoglucido [INN-Spanish] | 2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane | 4,10,13-Tetraoxahexadecane, 1,2:15,16-diepoxy- | ETOGLUCID [MI] | Etoglucidum | Ethane,2-bis[2-(2,3-epoxypropoxy)ethoxy]- | 1,2-Bis(2-(2,

Condiciones de almacenamiento de almacenamiento

Room temperature

Tipo de acción

CROSS-LINKING AGENT

Mecanismo de acción

DNA cross-linking agent

Propiedades del producto

ALogP

-1

Nombres e identificadores

Sonrisas canónicas

C1C(O1)COCCOCCOCCOCC2CO2

IUPAC Name

2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane

InChIKey

UMILHIMHKXVDGH-UHFFFAOYSA-N

INCHI

1S/C12H22O6/c1(13-3-5-15-7-11-9-17-11)2-14-4-6-16-8-12-10-18-12/h11-12H,1-10H2

Isómeros SMILES

C1C(O1)COCCOCCOCCOCC2CO2

Peso molecular

262.3

Reaxy-Rn

4311213

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4311213&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Epoxides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Epoxides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Epoxides
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxacycle - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as epoxides. These are compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms).
• External Descriptors: epoxide

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

Objetivos asociados (humanos)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 262.300 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 262.142 Da
• Monoisotopic Mass: 262.142 Da
• Topological Polar Surface Area: 62.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 191.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1