p-Hydroxy elvitegravir

Base Information

• Chemical Name: p-Hydroxy elvitegravir
• CAS No.: 870648-10-5
• Molecular Formula: C23H23ClFNO6
• Molecular Weight: 463.9
• UNII: 7H5PG477IY
• DSSTox Substance ID: DTXSID50870376
• Wikidata: Q27268282
• Mol file: 870648-10-5.mol

Synonyms:p-Hydroxy elvitegravir;Elvitegravir (m1);870648-10-5;UNII-7H5PG477IY;7H5PG477IY;para-Hydroxy Elvitegravir (Elvitegravir M1);3-Quinolinecarboxylic acid, 6-((3-chloro-2-fluoro-4-hydroxyphenyl)methyl)-1,4-dihydro-1-((1S)-1-(hydroxymethyl)-2-methylpropyl)-7-methoxy-4-oxo-;6-[(3-chloro-2-fluoro-4-hydroxyphenyl)methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid;SCHEMBL4360750;DTXSID50870376;Q27268282

Chemical Property of p-Hydroxy elvitegravir

Chemical Property:

• XLogP3: 5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 463.1197933
• Heavy Atom Count: 32
• Complexity: 733

Purity/Quality:

98~99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C(CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=C(C=C3)O)Cl)F)OC)C(=O)O
• Isomeric SMILES: CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=C(C=C3)O)Cl)F)OC)C(=O)O