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Substance Name: d-Isothujone
RN: 471-15-8
UNII: 8ZI5R3T54Q
InChIKey: USMNOWBWPHYOEA-XKSSXDPKSA-N

Molecular Formula

  • C10-H16-O

Molecular Weight

  • 152.235
 
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Names and Synonyms

Results Name

  • d-Isothujone

Name of Substance

  • beta-Thujone

Synonyms

  • (+)-3-Thujone
  • (+)-Isothujone
  • (+)-Thujone
  • AI3-11501
  • d-Isothujone
  • d-Thujone
  • NSC 67392
  • UNII-8ZI5R3T54Q

Systematic Names

  • 3-Thujanone, (1S,4S,5R)-(+)-
  • Bicyclo(3.1.0)hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S-(1-alpha,4-beta,5-alpha))- (9CI)

Registry Numbers

CAS Registry Number

  • 471-15-8

FDA UNII

  • 8ZI5R3T54Q

System Generated Number

  • 0000471158

Structure Descriptors

InChI

1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8+,10-/m0/s1

InChIKey

USMNOWBWPHYOEA-XKSSXDPKSA-N

Smiles

C1[C@@]2(CC(=O)[C@H]([C@@H]12)C)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 442mg/kg (442mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 1054, 1976.