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Concept information

Preferred term

(2S,3R) 8 (dimethylamino) 5 [(2S) 1 hydroxypropan 2 yl] 3 methyl 2 [[methyl(pyridin 4 ylmethyl)amino] methyl] 3,4 dihydro 2H 1,5 benzoxazocin 6 one  

Type

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

charge

  • 0

formula

  • C24H34N4O3

inchi

  • InChI=1S/C24H34N4O3/c1-17-13-28(18(2)16-29)24(30)21-12-20(26(3)4)6-7-22(21)31-23(17)15-27(5)14-19-8-10-25-11-9-19/h6-12,17-18,23,29H,13-16H2,1-5H3/t17-,18+,23-/m1/s1

inchikey

  • VHHIAINGBKGYCV-IEGUWTFLSA-N

mass

  • 426.553

monoisotopicmass

  • 426.26309

smiles

  • C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)CC3=CC=NC=C3)[C@@H](C)CO

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:113664

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