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Concept information

Preferred term

هیدرابامین (1+)  

Type

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

charge

  • +1

formula

  • C42H65N2

inchi

  • InChI=1S/C42H64N2/c1-29(2)31-11-15-35-33(25-31)13-17-37-39(5,19-9-21-41(35,37)7)27-43-23-24-44-28-40(6)20-10-22-42(8)36-16-12-32(30(3)4)26-34(36)14-18-38(40)42/h11-12,15-16,25-26,29-30,37-38,43-44H,9-10,13-14,17-24,27-28H2,1-8H3/p+1/t37-,38-,39-,40-,41+,42+/m0/s1

inchikey

  • XGIHQYAWBCFNPY-AZOCGYLKSA-O

is_conjugate_acid_of

is_conjugate_base_of

mass

  • 597.97890

monoisotopicmass

  • 597.51423

smiles

  • [H][N+]([H])(CCNC[C@]1(C)CCC[C@]2(C)c3ccc(cc3CC[C@@]12[H])C(C)C)C[C@]1(C)CCC[C@]2(C)c3ccc(cc3CC[C@@]12[H])C(C)C

subset

  • 3_STAR

synonym EXACT

  • N-{2-[abieta-8(14),9(11),12-trien-18-ylamino]ethyl}abieta-8(14),9(11),12-trien-18-aminium

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:52170

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