Estradiol anthranilate

Base Information

• Chemical Name: Estradiol anthranilate
• CAS No.: 111111-97-8
• Molecular Formula: C25H29 N O3
• Molecular Weight: 391.5027
• UNII: O6PNX53TGK
• DSSTox Substance ID: DTXSID70912000
• Wikipedia: Estradiol_anthranilate
• Wikidata: Q55611072
• Mol file: 111111-97-8.mol

Synonyms:Estradiol anthranilate;O6PNX53TGK;beta-Estradiol 3-anthranilate;beta-Estradiol-3-anthranilate;111111-97-8;UNII-O6PNX53TGK;ESTRADIOL 3-ANTHRANILATE;DTXSID70912000;.BETA.-ESTRADIOL 3-ANTHRANILATE;(17beta)-Estra-1,3,5(10)-triene-3,17-diol 3-(2-aminobenzoate);Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-(2-aminobenzoate);ESTRA-1,3,5(10)-TRIENE-3,17-DIOL (17.BETA.)-, 3-(2-AMINOBENZOATE)

Chemical Property of Estradiol anthranilate

Chemical Property:

• Vapor Pressure: 2.86E-14mmHg at 25°C
• Boiling Point: 579.5°Cat760mmHg
• Flash Point: 304.3°C
• Density: 1.223g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 391.21474379
• Heavy Atom Count: 29
• Complexity: 623

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5N
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5N