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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > ureas > 1-[(1r,3s,4ar,9as)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-6-yl]-3-(4-fluorophenyl)urea

Preferred term

1-[(1r,3s,4ar,9as)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-6-yl]-3-(4-fluorophenyl)urea  

Type

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

Broader concept

charge

  • 0

formula

  • C26H31FN4O5

inchi

  • InChI=1S/C26H31FN4O5/c1-30-8-10-31(11-9-30)24(33)14-19-13-21-20-12-18(6-7-22(20)36-25(21)23(15-32)35-19)29-26(34)28-17-4-2-16(27)3-5-17/h2-7,12,19,21,23,25,32H,8-11,13-15H2,1H3,(H2,28,29,34)/t19-,21+,23+,25-/m0/s1

inchikey

  • PSOSBQVEQWFUAG-VUHNXCBZSA-N

mass

  • 498.548

monoisotopicmass

  • 498.22785

smiles

  • CN1CCN(CC1)C(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)F

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:110367

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