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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > d-520

Preferred term

d-520  

Type

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

Broader concept

charge

  • 0

formula

  • C31H39N3O3

has_role

inchi

  • InChI=1S/C31H39N3O3/c1-2-14-33(27-11-12-28-25(21-27)4-3-5-29(28)35)18-15-32-16-19-34(20-17-32)26-9-6-23(7-10-26)24-8-13-30(36)31(37)22-24/h3-10,13,22,27,35-37H,2,11-12,14-21H2,1H3/t27-/m1/s1

inchikey

  • WVYXHYCDEPEXKY-HHHXNRCGSA-N

mass

  • 501.671

monoisotopicmass

  • 501.29914

smiles

  • CCCN(CCN1CCN(CC1)C2=CC=C(C=C2)C=3C=CC(=C(C3)O)O)[C@@]4(CCC5=C(C=CC=C5O)C4)[H]

subset

  • 2_STAR

synonym EXACT

  • 4-[4-[4-[2-[[(2R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]phenyl]benzene-1,2-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232847

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