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Substance Name: Deisopropylngaione
RN: 41059-85-2
InChIKey: YKWSUSNJLLZKDK-NWDGAFQWSA-N

Note

  • Nephrotoxin for mice from essential oil of Australian plant Myoporum deserti.

Molecular Formula

  • C12-H16-O3

Molecular Weight

  • 208.255
 
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Names and Synonyms

Name of Substance

  • Deisopropylngaione

Synonym

  • Deisopropylngaione

Systematic Name

  • 2-Propanone, 1-(2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-, (2S-cis)-

Registry Numbers

CAS Registry Number

  • 41059-85-2

System Generated Number

  • 0041059852

Structure Descriptors

InChI

1S/C12H16O3/c1-9(13)7-12(2)5-3-11(15-12)10-4-6-14-8-10/h4,6,8,11H,3,5,7H2,1-2H3/t11-,12+/m0/s1

InChIKey

YKWSUSNJLLZKDK-NWDGAFQWSA-N

Smiles

C(C(C)=O)[C@]1(CC[C@H](O1)c1cocc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 126mg/kg (126mg/kg)   JAT, Journal of Applied Toxicology. Vol. 2, Pg. 75, 1982.