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Substance Name: Cefacetrile [INN:BAN]
RN: 10206-21-0
UNII: FDM21QQ344
InChIKey: RRYMAQUWDLIUPV-BXKDBHETSA-N

Note

  • A derivative of 7-aminocephalosporanic acid.

Molecular Formula

  • C13-H13-N3-O6-S

Molecular Weight

  • 339.3267
 

Classification Codes

  • Anti-Bacterial Agents
  • Anti-Infective Agents
  • Antibiotics
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Names and Synonyms

Name of Substance

  • Cefacetrile [INN:BAN]
  • Cephacetrile

MeSH Heading

  • Cephacetrile

Synonyms

  • (6R,7R)-3-Acetoxymethyl-7-(2-cyanacetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure
  • 7-(2-Cyanacetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carboxylat acetat (ester)
  • 7-Cyanacetylamino-cephalosporansaeure
  • Cefacetril
  • Cefacetrile
  • Cefacetrilo
  • Cefacetrilo [INN-Spanish]
  • Cefacetrilum
  • Cefacetrilum [INN-Latin]
  • EINECS 233-508-8
  • UNII-FDM21QQ344

Systematic Name

  • Cefacetrile

Registry Numbers

CAS Registry Number

  • 10206-21-0

FDA UNII

  • FDM21QQ344

System Generated Number

  • 0010206210

Structure Descriptors

InChI

1S/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1

InChIKey

RRYMAQUWDLIUPV-BXKDBHETSA-N

Smiles

CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC#N)SC1)C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.45 (none)   EXP
Water Solubility 463 mg/L 25 EST
Vapor Pressure 1.73E-13 mm Hg 25 EST
Henry's Law Constant 1.65E-19 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.16E-10 cm3/molecule-sec 25 EST

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