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 > procaine(1+) salt > benzylpenicillin procaine

Preferred term

benzylpenicillin procaine  

Type

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

Broader concept

charge

  • 0

formula

  • C29H38N4O6S

has_part

inchi

  • InChI=1S/C16H18N2O4S.C13H20N2O2/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;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);5-8H,3-4,9-10,14H2,1-2H3/t11-,12+,14-;/m1./s1

inchikey

  • WHRVRSCEWKLAHX-LQDWTQKMSA-N

mass

  • 570.70000

monoisotopicmass

  • 570.25121

smiles

  • [H+].CCN(CC)CCOC(=O)c1ccc(N)cc1.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)Cc1ccccc1)C([O-])=O

subset

  • 3_STAR

synonym EXACT

  • hydrogen 2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylate--2-(diethylamino)ethyl 4-aminobenzoate (1:1)

synonym RELATED

  • hydrogen (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate--2-(diethylamino)ethyl 4-aminobenzoate (1:1)
  • Penicillin G procaine
  • Penicillin procaine (anhydrous)
  • Procaine benzylpenicillinate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:52154

Download this concept:

RDF/XML TURTLE JSON-LD