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Substance Name: Cephalosporin C [INN:BAN]
RN: 61-24-5
UNII: 3XIY7HJT5L
InChIKey: HOKIDJSKDBPKTQ-GLXFQSAKSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C16-H21-N3-O8-S

Molecular Weight

  • 415.4209
 
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Names and Synonyms

Name of Substance

  • Cephalosporin C
  • Cephalosporin C [INN:BAN]

Synonyms

  • 4-27-00-05902 (Beilstein Handbook Reference)
  • BRN 0065348
  • Cephalosporin C
  • EINECS 200-501-6
  • UNII-3XIY7HJT5L

Systematic Names

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-((5-amino-5-carboxy-1-oxopentyl)amino)-8-oxo-, (6R-(6alpha,7beta(R*)))-
  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(5-amino-5-carboxyvaleramido)-3-(hydroxymethyl)-8-oxo-, acetate (ester)
  • 7-(5-Amino-5-carboxyvaleramido)cephalosporanic acid

Registry Numbers

CAS Registry Number

  • 61-24-5

FDA UNII

  • 3XIY7HJT5L

Related Registry Numbers

  • 39879-21-5 (di-hydrochloride salt)
  • 41279-77-0 (zinc salt)
  • 51762-04-0 (mono-hydrochloride salt)
  • 57847-70-8 (potassium salt)
  • 59143-60-1 (mono-zinc salt)

System Generated Number

  • 0000061245

Structure Descriptors

InChI

InChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/t9-,11-,14-/m1/s1

InChIKey

HOKIDJSKDBPKTQ-GLXFQSAKSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 5gm/kg (5000mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 96, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -4.800 (none)   EST
Atmospheric OH Rate Constant 1.60E-10 cm3/molecule-sec 25 EST

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