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Substance Name: Penicillin DF
RN: 4493-18-9
UNII: 2891Q2PTF9
InChIKey: ACAZKHULUUVWCY-JFGNBEQYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C14-H22-N2-O4-S

Molecular Weight

  • 314.404
 
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Names and Synonyms

Results Name

  • Penicillin DF

Name of Substance

  • Amylpenicillin

Synonyms

  • 3,3-Dimethyl-6-hexanamido-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • 4-27-00-05859 (Beilstein Handbook Reference)
  • Amylpenicillin
  • BRN 0039499
  • Dihydropenicillin F
  • Hexanoylpenicillin
  • Penicillin DF
  • UNII-2891Q2PTF9

Systematic Name

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-hexanamido-7-oxo-

Registry Numbers

CAS Registry Number

  • 4493-18-9

FDA UNII

  • 2891Q2PTF9

System Generated Number

  • 0004493189

Structure Descriptors

InChI

1S/C14H22N2O4S/c1-4-5-6-7-8(17)15-9-11(18)16-10(13(19)20)14(2,3)21-12(9)16/h9-10,12H,4-7H2,1-3H3,(H,15,17)(H,19,20)/t9-,10+,12-/m1/s1

InChIKey

ACAZKHULUUVWCY-JFGNBEQYSA-N

Smiles

CCCCCC(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 2gm/kg (2000mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 92, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.37 (none)   EXP
Water Solubility 95.6 mg/L 25 EST
Vapor Pressure 3.88E-11 mm Hg 25 EST
Henry's Law Constant 4.48E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.22E-11 cm3/molecule-sec 25 EST

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