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Substance Name: 3,4-Piperidinediol, 1,3-dimethyl-6-(2,4-dimethylphenyl)-4-ethynyl-, (3-alpha,4-beta,6-beta)-
RN: 120729-78-4
InChIKey: CGXPMEIRJZQJQM-ULQDDVLXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H23-N-O2

Molecular Weight

  • 273.3737
 
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Names and Synonyms

Synonyms

  • (3-alpha,4-beta,6-beta)-1,3-Dimethyl-6-(2,4-dimethylphenyl)-4-ethynyl-3,4-piperidinediol
  • BRN 3554380
  • cis-1,3-Dimethyl-6-(2,4-dimethylphenyl)-4-ethynyl-3,4-piperidinediol

Systematic Name

  • 3,4-Piperidinediol, 1,3-dimethyl-6-(2,4-dimethylphenyl)-4-ethynyl-, (3-alpha,4-beta,6-beta)-

Registry Numbers

CAS Registry Number

  • 120729-78-4

System Generated Number

  • 0120729784

Structure Descriptors

InChI

1S/C17H23NO2/c1-6-17(20)10-15(18(5)11-16(17,4)19)14-8-7-12(2)9-13(14)3/h1,7-9,15,19-20H,10-11H2,2-5H3/t15-,16-,17-/m0/s1

InChIKey

CGXPMEIRJZQJQM-ULQDDVLXSA-N

Smiles

Cc1ccc(c(c1)C)[C@@H]2C[C@]([C@@](CN2C)(C)O)(C#C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 195mg/kg (195mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 23, Pg. 178, 1989.