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Substance Name: KS 504e
RN: 122006-32-0
InChIKey: DXCKXLJBDSYGTI-UHFFFAOYSA-N

Note

  • Isolated from Mollisia ventosa.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H3-Cl7-O2

Molecular Weight

  • 367.27
 
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Names and Synonyms

Name of Substance

  • KS 504e

Synonyms

  • (+)-4-Hydroxy-3,3,5,5-tetrachloro-2-(trichloromethyl)-1-cyclopentene-1-carboxaldehyde
  • BRN 4321107
  • KS-504e

Systematic Names

  • 1-Cyclopentene-1-carboxaldehyde, 3,3,5,5-tetrachloro-4-hydroxy-2-(trichloromethyl)-, (+)-
  • 1-Cyclopentene-1-carboxaldehyde, 4-hydroxy-3,3,5,5-tetrachloro-2-(trichloromethyl)-, (+)-

Registry Numbers

CAS Registry Number

  • 122006-32-0

System Generated Number

  • 0122006320

Structure Descriptors

InChI

1S/C7H3Cl7O2/c8-5(9)2(1-15)3(7(12,13)14)6(10,11)4(5)16/h1,4,16H

InChIKey

DXCKXLJBDSYGTI-UHFFFAOYSA-N

Smiles

C1(=C(C([C@@H](C1(Cl)Cl)O)(Cl)Cl)C(Cl)(Cl)Cl)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 500mg/kg (500mg/kg)   Journal of Antibiotics. Vol. 42, Pg. 1775, 1989.