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Concept information

Preferred term

هیدرات پرامپانل  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C92H66N12O7

inchi

  • InChI=1S/4C23H15N3O.3H2O/c4*24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19;;;/h4*1-14,16H;3*1H2

inchikey

  • PDWMJDKMSASBNE-UHFFFAOYSA-N

mass

  • 1451.58460

monoisotopicmass

  • 1450.51774

smiles

  • O.O.O.O=c1c(cc(cn1-c1ccccc1)-c1ccccn1)-c1ccccc1C#N.O=c1c(cc(cn1-c1ccccc1)-c1ccccn1)-c1ccccc1C#N.O=c1c(cc(cn1-c1ccccc1)-c1ccccn1)-c1ccccc1C#N.O=c1c(cc(cn1-c1ccccc1)-c1ccccn1)-c1ccccc1C#N

subset

  • 3_STAR

synonym EXACT

  • 2-(6'-oxo-1'-phenyl-1',6'-dihydro-2,3'-bipyridin-5'-yl)benzonitrile--water(4/3)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:71015

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