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Substance Name: Esterastin
RN: 67655-93-0
InChIKey: JKNGELGDDBUFHG-UHFFFAOYSA-N

Note

  • Inhibitor of esterases.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H46-N2-O6

Molecular Weight

  • 506.679
 
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Names and Synonyms

Name of Substance

  • Esterastin

Synonym

  • Esterastin

Systematic Names

  • L-Asparagine, N(2)-acetyl-, 1-((3-hexyl-4-oxo-2-oxetanyl)methyl)-3,6-dodecadienyl ester, (2S-(2alpha(1R*,3Z,6Z),3beta))-
  • L-Asparagine, N(sup 2)-acetyl-, 1-((3-hexyl-4-oxo-2-oxetanyl)methyl)-3,6-dodecadienyl ester, (2S-(2-alpha(1R*,3Z,6Z),3-beta))-

Registry Numbers

CAS Registry Number

  • 67655-93-0

System Generated Number

  • 0067655930

Structure Descriptors

InChI

1S/C28H46N2O6/c1-4-6-8-10-11-12-13-14-15-17-22(35-28(34)24(20-26(29)32)30-21(3)31)19-25-23(27(33)36-25)18-16-9-7-5-2/h11-12,14-15,22-25H,4-10,13,16-20H2,1-3H3,(H2,29,32)(H,30,31)

InChIKey

JKNGELGDDBUFHG-UHFFFAOYSA-N

Smiles

C([C@@H](C\C=C\C\C=C\CCCCC)OC(=O)[C@@H](CC(=O)N)NC(=O)C)[C@@H]1[C@@H](CCCCCC)C(=O)O1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 250mg/kg (250mg/kg)   Journal of Antibiotics. Vol. 31, Pg. 639, 1978.