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Substance Name: 3,4-Piperidinediol, 1,3-dimethyl-4-ethynyl-6-(4-methylphenyl)-, (3-alpha,4-beta,6-beta)-
RN: 120729-76-2
InChIKey: XDNDBMFQHOOPHT-JYJNAYRXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N-O2

Molecular Weight

  • 259.3469
 
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Names and Synonyms

Synonyms

  • (3-alpha,4-beta,6-beta)-1,3-Dimethyl-4-ethynyl-6-(4-methylphenyl)-3,4-piperidinediol
  • cis-1,3-Dimethyl-4-ethynyl-6-(4-methylphenyl)-3,4-piperidinediol

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 120729-76-2

System Generated Number

  • 0120729762

Structure Descriptors

InChI

1S/C16H21NO2/c1-5-16(19)10-14(17(4)11-15(16,3)18)13-8-6-12(2)7-9-13/h1,6-9,14,18-19H,10-11H2,2-4H3/t14-,15-,16-/m0/s1

InChIKey

XDNDBMFQHOOPHT-JYJNAYRXSA-N

Smiles

Cc1ccc(cc1)[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 281mg/kg (281mg/kg) 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.