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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > ammonium ion derivative > benzyl cetraxate(1+)
... > chemical entity > molecular entity > ion > cation > polyatomic cation > ammonium ion derivative > benzyl cetraxate(1+)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic cation > ammonium ion derivative > benzyl cetraxate(1+)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic cation > ammonium ion derivative > benzyl cetraxate(1+)

Preferred term

benzyl cetraxate(1+)  

Type

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

Broader concept

charge

  • +1

formula

  • C24H30NO4

inchi

  • InChI=1S/C24H29NO4/c25-16-19-6-11-21(12-7-19)24(27)29-22-13-8-18(9-14-22)10-15-23(26)28-17-20-4-2-1-3-5-20/h1-5,8-9,13-14,19,21H,6-7,10-12,15-17,25H2/p+1/t19-,21-

inchikey

  • LPWHBGUXJFSETQ-XUTJKUGGSA-O

is_conjugate_acid_of

mass

  • 396.49930

monoisotopicmass

  • 396.21693

smiles

  • [NH3+]C[C@H]1CC[C@@H](CC1)C(=O)Oc1ccc(CCC(=O)OCc2ccccc2)cc1

subset

  • 3_STAR

synonym EXACT

  • [(1r,4r)-4-({4-[3-(benzyloxy)-3-oxopropyl]phenoxy}carbonyl)cyclohexyl]methanaminium

synonym RELATED

  • benzyl cetraxate
  • benzyl cetraxate cation

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:57790

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