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Substance Name: 2-Cyclohexen-1-ol, 5-methylene-6-(1-methylethenyl)-, acetate, (1S-cis)- (9CI)
RN: 32151-09-0
InChIKey: LCKQEGQKVDFBIO-NWDGAFQWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H16-O2

Molecular Weight

  • 192.256
 
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Names and Synonyms

Synonyms

  • 4-06-00-03329 (Beilstein Handbook Reference)
  • Acetate de carquejyle
  • Acetate de carquejyle [French]
  • BRN 2522319
  • Carquejol acetate

Systematic Names

  • 2-Cyclohexen-1-ol, 5-methylene-6-(1-methylethenyl)-, acetate, (1S-cis)- (9CI)
  • o-Mentha-1(7),4,8-trien-3-ol, acetate, (2R,3S)-

Registry Numbers

CAS Registry Number

  • 32151-09-0

System Generated Number

  • 0032151090

Structure Descriptors

InChI

1S/C12H16O2/c1-8(2)12-9(3)6-5-7-11(12)14-10(4)13/h5,7,11-12H,1,3,6H2,2,4H3/t11-,12+/m0/s1

InChIKey

LCKQEGQKVDFBIO-NWDGAFQWSA-N

Smiles

C=1[C@@H]([C@@H](C(CC1)=C)C(=C)C)OC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 690mg/kg (690mg/kg)   Therapie. Vol. 15, Pg. 931, 1960.
mouse LD50 oral 3140mg/kg (3140mg/kg)   Therapie. Vol. 15, Pg. 931, 1960.