Escitalopram hydrobromide

Base Information

• Chemical Name: Escitalopram hydrobromide
• CAS No.: 481047-50-1
• Molecular Formula: C20H22BrFN2O
• Molecular Weight: 405.3039
• UNII: SS9JTY593K
• Wikidata: Q27146953
• Mol file: 481047-50-1.mol

Synonyms:escitalopram hydrobromide;Escitalopram (hydrobromide);(S)-citalopram hydrobromide;481047-50-1;SS9JTY593K;5-Isobenzofurancarbonitrile, 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-, hydrobromide (1:1), (1S)-;5-Isobenzofurancarbonitrile, 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-, monohydrobromide, (1S)-;escitalopram HBr;escitalopram.HBr;UNII-SS9JTY593K;SCHEMBL522164;CHEBI:77423;WIHMBLDNRMIGDW-BDQAORGHSA-N;Q27146953;(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrobromide;(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide;3-[(1S)-5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium bromide

Chemical Property of Escitalopram hydrobromide

Chemical Property:

• Boiling Point: 428.3 °C at 760 mmHg
• Flash Point: 212.8 °C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 404.08995
• Heavy Atom Count: 25
• Complexity: 466

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br
• Isomeric SMILES: CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br