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Chemistry, part 2

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Concept information

organooxygen compound > oxacycle > benzodioxoles > [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2r,3r,4s)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2h-pyran-6-yl]methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzodioxoles > [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2r,3r,4s)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2h-pyran-6-yl]methanone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzodioxoles > [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2r,3r,4s)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2h-pyran-6-yl]methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzodioxoles > [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2r,3r,4s)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2h-pyran-6-yl]methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzodioxoles > [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2r,3r,4s)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2h-pyran-6-yl]methanone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzodioxoles > [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2r,3r,4s)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2h-pyran-6-yl]methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzodioxoles > [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2r,3r,4s)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2h-pyran-6-yl]methanone

Preferred term

[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2r,3r,4s)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2h-pyran-6-yl]methanone  

Type

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

Broader concept

charge

  • 0

formula

  • C31H36N2O6S

inchi

  • InChI=1S/C31H36N2O6S/c1-2-36-31-23(7-5-15-34)24(25-19-40-29-8-4-3-6-22(25)29)17-28(39-31)30(35)33-13-11-32(12-14-33)18-21-9-10-26-27(16-21)38-20-37-26/h3-4,6,8-10,16-17,19,23-24,31,34H,2,5,7,11-15,18,20H2,1H3/t23-,24+,31-/m1/s1

inchikey

  • HMWUPEBWYBVNQB-ULPIOCOXSA-N

mass

  • 564.695

monoisotopicmass

  • 564.22941

smiles

  • CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CSC6=CC=CC=C65)CCCO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:114636

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