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Substance Name: Kawain
RN: 500-64-1
UNII: W1ES06373M
InChIKey: XEAQIWGXBXCYFX-GUOLPTJISA-N

Classification Codes

  • Anti-Anxiety Agents
  • Anticonvulsants
  • Central Nervous System Agents
  • Central Nervous System Depressants
  • Drug / Therapeutic Agent
  • Psychotropic Drugs
  • Tranquilizing Agents

Molecular Formula

  • C14-H14-O3

Molecular Weight

  • 230.2616
 
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Names and Synonyms

Name of Substance

  • Kawain

Synonyms

  • (R)-5,6-Dihydro-4-methoxy-6-styryl-2H-pyran-2-one
  • 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-styryl-, (+)-
  • 4-Methoxy-6-(beta-phenylvinyl)-5,6-dihydro-alpha-pyrone
  • 5-Hydroxy-3-methoxy-7-phenyl-2,6-heptadienoic acid gamma-lactone
  • EINECS 207-907-2
  • Gonosan
  • Kawain
  • NSC 112162
  • UNII-W1ES06373M

Systematic Names

  • (R-(E))-5,6-Dihydro-4-methoxy-6-styryl-2H-pyran-2-one
  • 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(2-phenylethenyl)-, (R-(E))- (9CI)
  • 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-styryl-, (R)-

Registry Numbers

CAS Registry Number

  • 500-64-1

FDA UNII

  • W1ES06373M

System Generated Number

  • 0000500641

Structure Descriptors

InChI

1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+/t12-/m0/s1

InChIKey

XEAQIWGXBXCYFX-GUOLPTJISA-N

Smiles

COC1=CC(=O)O[C@H](C1)\C=C\c2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 420mg/kg (420mg/kg) BEHAVIORAL: ANTICONVULSANT Archives Internationales de Pharmacodynamie et de Therapie. Vol. 177, Pg. 261, 1969.
mouse LD50 intravenous 69mg/kg (69mg/kg) BEHAVIORAL: ANTICONVULSANT Archives Internationales de Pharmacodynamie et de Therapie. Vol. 177, Pg. 261, 1969.
mouse LD50 oral 1130mg/kg (1130mg/kg) BEHAVIORAL: ANTICONVULSANT Archives Internationales de Pharmacodynamie et de Therapie. Vol. 177, Pg. 261, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 105.5 deg C   EXP
log P (octanol-water) 1.660 (none)   EST
Atmospheric OH Rate Constant 1.04E-10 cm3/molecule-sec 25 EST

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