Bis-etilhexiloxifenol metoxifenil triazina - ≥98% , CAS No.187393-00-6

CAS: 187393-00-6 Cat. No.: B305266 Peso molecular: 627.81 Número EC: 606-111-6

GRADE & PURITY ≥98%

Synonyms

NSC759870 | PWZ1720CBH | FAT 70'884 | 2,4-bis[4-(2-ethylhexyloxy)-2-hydroxyphenyl]-6-(4-methoxyphenyl)-1,3,5-triazine | 6,6'-(6-(4-Methoxyphenyl)-1,3,5-triazine-2,4-diyl)bis(3-((2-ethylhexyl)oxy)phenol) | Bemotrizinol (USAN/INN) | BEMOTRIZINOL [USP-RS] |

Storage

Temperatura ambiente, cargado con argón

Shipped In

Normal

Descripción general

Descripción del producto

El bemotrizinol es un filtro UV orgánico altamente fotoestable que se añade a los protectores solares para absorber los rayos UV. Es el absorbente de rayos UV más eficaz, que protege tanto de los rayos UVB como de los UVA.

Aplicación del producto

El bemotrizinol puede utilizarse como patrón de referencia analítico para la determinación del analito en formulaciones farmacéuticas tópicas mediante el método de cromatografía líquida de alta resolución en fase reversa (RP-HPLC).

Specifications

Sinónimos

NSC759870 | PWZ1720CBH | FAT 70'884 | 2, 4-bis[4-(2-ethylhexyloxy)-2-hydroxyphenyl]-6-(4-methoxyphenyl)-1, 3, 5-triazine | 6, 6'-(6-(4-Methoxyphenyl)-1, 3, 5-triazine-2, 4-diyl)bis(3-((2-ethylhexyl)oxy)phenol) | Bemotrizinol (USAN/INN) | BEMOTRIZINOL [USP-RS] |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente, cargado con argón

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488202947
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202947
• Sonrisas canónicas: CCCCC(CC)COC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)OC)C4=C(C=C(C=C4)OCC(CC)CCCC)O)O
• IUPAC Name: 5-(2-ethylhexoxy)-2-[4-[4-(2-ethylhexoxy)-2-hydroxyphenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol
• InChIKey: XVAMCHGMPYWHNL-UHFFFAOYSA-N
• INCHI: 1S/C38H49N3O5/c1-6-10-12-26(8-3)24-45-30-18-20-32(34(42)22-30)37-39-36(28-14-16-29(44-5)17-15-28)40-38(41-37)33-21-19-31(23-35(33)43)46-25-27(9-4)13-11-7-2/h14-23,26-27,42-43H,6-13,24-25H2,1-5H3
• Isómeros SMILES: CCCCC(CC)COC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)OC)C4=C(C=C(C=C4)OCC(CC)CCCC)O)O
• Peso molecular: 627.81
• Reaxy-Rn: 11322254
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11322254&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids 1,3,5-triazines Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - 1,3,5-triazine - Triazine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light Sensitive,Air Sensitive
• Punto de fusión (°C): 81 °C
• Peso molecular: 627.800 g/mol
• XLogP3: 10.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 18
• Exact Mass: 627.367 Da
• Monoisotopic Mass: 627.367 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 761.000
• 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

Referencias

1. Junzhao Su, Hongsheng Luo, Cenhuai Ma, Shide Li, Xiangjun Fu.  (2023)  Triazine-based microcapsules with synergistic ultraviolet absorptions.  MATERIALS LETTERS,      [PMID:] [10.1016/j.matlet.2023.134879]

2. Shichang Li, Shuxian Zhang, Hanyue Li, Nuoya Yin, Renjun Yang, Yang Zhang, Magdalena J. Koziol, Francesco Faiola.  (2025)  Environmental UV filters threaten human neurodevelopment: Disruption of central and peripheral nervous system lineage commitment via WNT signaling dysregulation.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:41110322] [10.1016/j.jhazmat.2025.140149]