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Concept information

Preferred term

Clemizole Benzylpenicillin  

Type

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

Broader concept

charge

  • 0

formula

  • C16H17N2O4S.C19H21ClN3
  • C35H38ClN5O4S

inchi

  • InChI=1S/C19H20ClN3.C16H18N2O4S/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22;1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h1-2,5-10H,3-4,11-14H2;3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t;11-,12+,14-/m.1/s1

inchikey

  • GKPMEGXMKPQRTN-CBDIPHIASA-N

mass

  • 660.22500

monoisotopicmass

  • 659.23330

smiles

  • Clc1ccc(Cn2c(C[NH+]3CCCC3)nc3ccccc23)cc1.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)Cc1ccccc1)C([O-])=O

subset

  • 3_STAR

synonym EXACT

  • 1-{[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]methyl}pyrrolidinium 2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:52139

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