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Substance Name: Penicillin K
RN: 525-97-3
InChIKey: XVASOOUVMJAZNJ-MBNYWOFBSA-N

Note

  • Biosynthesized from glutathione S-derivatives.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H26-N2-O4-S

Molecular Weight

  • 342.4574
 
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Names and Synonyms

Name of Substance

  • Penicillin K

Synonyms

  • 3,3-Dimethyl-6-octanamido-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • Heptylpenicillin
  • Octanoylpenicillin
  • Penicillin A
  • Penicillin IV
  • Penicillin K

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 525-97-3

System Generated Number

  • 0000525973

Structure Descriptors

InChI

1S/C16H26N2O4S/c1-4-5-6-7-8-9-10(19)17-11-13(20)18-12(15(21)22)16(2,3)23-14(11)18/h11-12,14H,4-9H2,1-3H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1

InChIKey

XVASOOUVMJAZNJ-MBNYWOFBSA-N

Smiles

CCCCCCCC(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O

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) 3.32 (none)   EXP
Water Solubility 10.1 mg/L 25 EST
Vapor Pressure 7.31E-12 mm Hg 25 EST
Henry's Law Constant 7.90E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.51E-11 cm3/molecule-sec 25 EST

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