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Concept information

Preferred term

n-[(2r,3s,6s)-2-(hydroxymethyl)-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]oxan-3-yl]-1,3-benzodioxole-5-carboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C21H29N3O6

inchi

  • InChI=1S/C21H29N3O6/c1-23-6-8-24(9-7-23)20(26)11-15-3-4-16(19(12-25)30-15)22-21(27)14-2-5-17-18(10-14)29-13-28-17/h2,5,10,15-16,19,25H,3-4,6-9,11-13H2,1H3,(H,22,27)/t15-,16-,19-/m0/s1

inchikey

  • OCHDOPTVTSINTO-BXWFABGCSA-N

mass

  • 419.472

monoisotopicmass

  • 419.20564

smiles

  • CN1CCN(CC1)C(=O)C[C@@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)C3=CC4=C(C=C3)OCO4

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:98511

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