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Substance Name: Sulbenicillin [INN]
RN: 41744-40-5
UNII: Q2VYF0562D
InChIKey: JETQIUPBHQNHNZ-NJBDSQKTSA-N

Note

  • Semisynthetic penicillin-type antibiotic.

Classification Codes

  • Anti-Bacterial Agents
  • Anti-Infective Agents

Molecular Formula

  • C16-H18-N2-O7-S2

Molecular Weight

  • 414.4572
 
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Names and Synonyms

Name of Substance

  • Sulbenicillin
  • Sulbenicillin [INN]

MeSH Heading

  • Sulbenicillin

Synonyms

  • (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-((R,S)-2-phenyl-2-sulfoacetamido)-4-thia-1-azabicyclo(3.2.0)heptan-2-carbonsaeure
  • 3,3-Dimethyl-7-oxo-6-(2-phenyl-2-sulfoacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((2R)-2-phenyl-2-sulfoacetyl)amino)-, (2S,5R,6R)-
  • alpha-Sulfobenzylpenicillin
  • d-(-)-Sulbenicillin
  • EINECS 255-528-6
  • Kedacillin
  • Kedacillina
  • Sulbenicilina
  • Sulbenicilina [INN-Spanish]
  • Sulbenicillin
  • Sulbenicilline
  • Sulbenicilline [INN-French]
  • Sulbenicillinum
  • Sulbenicillinum [INN-Latin]
  • Sulfocillin
  • Sulpelin
  • UNII-Q2VYF0562D

Systematic Names

  • 3,3-Dimethyl-7-oxo-6-(2-phenyl-2-sulfoacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylsulfoacetyl)amino)-, (2S-(2alpha,5alpha,6beta(S*)))-
  • Sulbenicillin

Registry Numbers

CAS Registry Number

  • 41744-40-5

FDA UNII

  • Q2VYF0562D

Other Registry Numbers

  • 12772-42-8
  • 34779-28-7

System Generated Number

  • 0041744405

Structure Descriptors

InChI

1S/C16H18N2O7S2/c1-16(2)11(15(21)22)18-13(20)9(14(18)26-16)17-12(19)10(27(23,24)25)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,17,19)(H,21,22)(H,23,24,25)/t9-,10-,11+,14-/m1/s1

InChIKey

JETQIUPBHQNHNZ-NJBDSQKTSA-N

Smiles

CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](c3ccccc3)S(=O)(=O)O)C(=O)N2[C@H]1C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 197 dec deg C   EXP
log P (octanol-water) 0.59 (none)   EXP
Water Solubility 69.4 mg/L 25 EST
Vapor Pressure 1.30E-19 mm Hg 25 EST
Henry's Law Constant 1.99E-21 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.04E-11 cm3/molecule-sec 25 EST

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