skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > salt > organic salt > benzathine(2+) salt > ampicillin benzathine

Preferred term

ampicillin benzathine  

Type

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

Broader concept

charge

  • 0

formula

  • C48H58N8O8S2

has_part

inchi

  • InChI=1S/2C16H19N3O4S.C16H20N2/c2*1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);1-10,17-18H,11-14H2/t2*9-,10-,11+,14-;/m11./s1

inchikey

  • RHKWJSNGCNASTF-PHGYPNQBSA-N

mass

  • 939.15524

monoisotopicmass

  • 938.38190

smiles

  • [H][N+]([H])(CC[N+]([H])([H])Cc1ccccc1)Cc1ccccc1.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C([O-])=O.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C([O-])=O

subset

  • 3_STAR

synonym EXACT

  • N,N'-dibenzylethane-1,2-diaminium bis{6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylate}

synonym RELATED

  • ampicillin N,N'-dibenzylethylenediamine salt
  • benzathine ampicillin

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:51343

Download this concept:

RDF/XML TURTLE JSON-LD