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Substance Name: Quinacillin [INN:BAN]
RN: 1596-63-0
UNII: 83NB50X92M
InChIKey: GPMSLJIYNWBYEL-TYNCELHUSA-N

Classification Code

  • Antibiotics

Molecular Formula

  • C18-H16-N4-O6-S

Molecular Weight

  • 416.412
 
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Names and Synonyms

Name of Substance

  • Quinacillin
  • Quinacillin [INN:BAN]

Synonyms

  • (2S,5R,6R)-6-(3-Carboxy-2-chinoxalinylcarboxamido)-3,3-dimethyl-7-oxo-4-thia-azabicyclo(3.2.0)heptan-2-carbonsaeure
  • (3-Carboxy-2-quinoxalinyl)penicillin
  • 6-(3-Carboxy-2-chinoxalinecarboxamido)-3,3-dimethyl-7-oxo-4-thia-azabicyclo(3.2.0)heptan-2-carbonsaeure
  • 6-(3-Carboxy-2-quinoxalinecarboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • EINECS 216-481-7
  • Quinacilina
  • Quinacilina [INN-Spanish]
  • Quinacillin
  • Quinacilline
  • Quinacilline [INN-French]
  • Quinacillinum
  • Quinacillinum [INN-Latin]
  • UNII-83NB50X92M

Systematic Names

  • (3-Carboxy-2-quinoxalinyl)penicillin
  • 3-Carboxy-2-quinoxalinylpenicillanic acid
  • Quinacillin

Registry Numbers

CAS Registry Number

  • 1596-63-0

FDA UNII

  • 83NB50X92M

System Generated Number

  • 0001596630

Structure Descriptors

InChI

1S/C18H16N4O6S/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/h3-6,11-12,15H,1-2H3,(H,21,23)(H,25,26)(H,27,28)/t11-,12+,15-/m1/s1

InChIKey

GPMSLJIYNWBYEL-TYNCELHUSA-N

Smiles

c1(C(N[C@@H]2C(N3[C@@H]2SC([C@@H]3C(=O)O)(C)C)=O)=O)c(nc2c(n1)cccc2)C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.490 (none)   EST
Atmospheric OH Rate Constant 6.51E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.