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Substance Name: Quinacillin bistriethylammonium monohydrate
RN: 105022-48-8
UNII: MM86H25K82
InChIKey: AYYIDYVYEITOPK-MXAGPWFTSA-N

Molecular Formula

  • C18-H16-N4-O6-S.2C6-H15-N.H2-O

Molecular Weight

  • 636.8102
 
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Names and Synonyms

Name of Substance

  • Quinacillin bistriethylammonium monohydrate

Synonyms

  • (2S,5R,6R)-6-(((3-Carboxy-2-quinoxalinyl)carbonyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, bistriethylammonium salt monohydrate
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(3-carboxy-2-quinoxalinecarboxamido)-3,3-dimethyl-7-oxo-, compd. with triethylamine, monohydrate
  • Quinacillin bistriethylammonium monohydrate
  • Quinacillin bistriethylammonium salt monohydrate
  • Quinacillin bistriethylammonium salt monohydrate [MI]
  • UNII-MM86H25K82

Registry Numbers

CAS Registry Number

  • 105022-48-8

FDA UNII

  • MM86H25K82

System Generated Number

  • 0105022488

Structure Descriptors

InChI

1S/C18H16N4O6S.2C6H15N.H2O/c1-18(2)12(17(27)28)22-14(24)11(15(22)29-18)21-13(23)9-10(16(25)26)20-8-6-4-3-5-7(8)19-9;2*1-4-7(5-2)6-3;/h3-6,11-12,15H,1-2H3,(H,21,23)(H,25,26)(H,27,28);2*4-6H2,1-3H3;1H2/t11-,12+,15-;;;/m1.../s1

InChIKey

AYYIDYVYEITOPK-MXAGPWFTSA-N

Smiles

CCN(CC)CC.CCN(CC)CC.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)c3c(nc4ccccc4n3)C(=O)O)C(=O)O)C.O