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Substance Name: Nepetalactone
RN: 490-10-8
InChIKey: ZDKZHVNKFOXMND-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H14-O2

Molecular Weight

  • 166.2186
 
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Names and Synonyms

Name of Substance

  • Nepetalactone

Synonyms

  • 5,6,7,7a-Tetrahydro-4,7-dimethyl-cyclopenta(c)pyran-1(4ah)-one
  • MD(sub 1) 84
  • MDI 84
  • Nepetalactone

Systematic Names

  • Cyclopenta(c)pyran-1-(4aH)-one, 5,6,7,7a-tetrahydro-4,7-dimethyl-
  • Cyclopentanecarboxylic acid, 2-(2-hydroxy-1-methylvinyl)-5-methyl-, delta-lactone (6CI,7CI)

Registry Numbers

CAS Registry Number

  • 490-10-8

System Generated Number

  • 0000490108

Structure Descriptors

InChI

1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3

InChIKey

ZDKZHVNKFOXMND-UHFFFAOYSA-N

Smiles

CC1CCC2C1C(=O)OC=C2C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1550mg/kg (1550mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Lloydia. Vol. 41, Pg. 367, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 1.810 (none)   EST
Atmospheric OH Rate Constant 9.34E-11 cm3/molecule-sec 25 EST

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