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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 > (1r,2r)-2-pcca

Preferred term

(1r,2r)-2-pcca  

Type

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

Broader concept

charge

  • 0

formula

  • C30H37N3O.ClH.ClH

inchi

  • InChI=1S/C30H37N3O.2ClH/c1-4-8-22-10-12-23(13-11-22)24-14-16-25(17-15-24)33(20-28(31)21(3)5-2)30(34)27-19-26(27)29-9-6-7-18-32-29;;/h6-7,9-18,21,26-28H,4-5,8,19-20,31H2,1-3H3;2*1H/t21-,26+,27+,28+;;/m0../s1

inchikey

  • ZRMICUFWAJDIQJ-QUDNCWCRSA-N

mass

  • 528.560

monoisotopicmass

  • 527.24702

smiles

  • Cl.Cl.CCCC1=CC=C(C=C1)C1=CC=C(C=C1)N(C[C@@H](N)[C@@H](C)CC)C(=O)[C@@H]1C[C@H]1C1=CC=CC=N1

subset

  • 2_STAR

synonym RELATED

  • 2-PCCA

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:197393

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