Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Deacetoxycephalosporin C
RN: 26924-74-3
InChIKey: NNQIJOYQWYKBOW-JWKOBGCHSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C14-H19-N3-O6-S

Molecular Weight

  • 357.3851
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Deacetoxycephalosporin C

Synonyms

  • 7-((5-Amino-5-carboxy-1-oxopentyl)amino)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid (6R-(6alpha,7beta(R*)))-
  • Antibiotic WS 3442A
  • De(acetyloxy)cephalosporin C
  • Deacetoxycephalosphorin C
  • Desacetoxycephalosphorin C
  • WS-3442-A

Systematic Names

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((5-amino-5-carboxy-1-oxopentyl)amino)-3-methyl-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-methyl-8-oxo-

Registry Numbers

CAS Registry Number

  • 26924-74-3

System Generated Number

  • 0026924743

Structure Descriptors

InChI

1S/C14H19N3O6S/c1-6-5-24-12-9(11(19)17(12)10(6)14(22)23)16-8(18)4-2-3-7(15)13(20)21/h7,9,12H,2-5,15H2,1H3,(H,16,18)(H,20,21)(H,22,23)/t7-,9-,12-/m1/s1

InChIKey

NNQIJOYQWYKBOW-JWKOBGCHSA-N

Smiles

CC1=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. 97, 1980.