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Substance Name: 3,4-Piperidinediol, 1,3-dimethyl-4-ethynyl-6-(4-fluorophenyl)-, (3-alpha,4-alpha,6-beta)-
RN: 121368-78-3
InChIKey: ZFYNRIXJKNESEJ-SOUVJXGZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H18-F-N-O2

Molecular Weight

  • 263.3102
 
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Names and Synonyms

Synonyms

  • (3-alpha,4-alpha,6-beta)-1,3-Dimethyl-4-ethynyl-6-(4-fluorophenyl)-3,4-piperidinediol
  • 3a,4a-Dihydroxy-1e,3e-dimethyl-6e-(4-fluorophenyl)-4e-ethynylpiperidine

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 121368-78-3

System Generated Number

  • 0121368783

Structure Descriptors

InChI

1S/C15H18FNO2/c1-4-15(19)9-13(17(3)10-14(15,2)18)11-5-7-12(16)8-6-11/h1,5-8,13,18-19H,9-10H2,2-3H3/t13-,14-,15+/m0/s1

InChIKey

ZFYNRIXJKNESEJ-SOUVJXGZSA-N

Smiles

C[C@@]1(CN([C@@H](C[C@@]1(C#C)O)c2ccc(cc2)F)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 131mg/kg (131mg/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.