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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > salt > organic salt > benethamine salt > benzylpenicillin benethamine

Preferred term

benzylpenicillin benethamine  

Type

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

Broader concept

charge

  • 0

formula

  • C31H35N3O4S

has_part

inchi

  • InChI=1S/C16H18N2O4S.C15H17N/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,16H,11-13H2/t11-,12+,14-;/m1./s1

inchikey

  • JAQPGQYDZJZOIN-LQDWTQKMSA-N

mass

  • 545.69200

monoisotopicmass

  • 545.23483

smiles

  • [H][N+]([H])(CCc1ccccc1)Cc1ccccc1.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)Cc1ccccc1)C([O-])=O

subset

  • 3_STAR

synonym EXACT

  • N-benzyl-2-phenylethanaminium 2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylate

synonym RELATED

  • Benethamine penicillin
  • benethamine penicillin
  • benethamine penicilline
  • benethamine penicillin G
  • benethaminum penicillinum
  • N-benzyl-2-phenylethanaminium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • penicilina-benetamina
  • penicillin G benethamine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:52151

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