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Substance Name: 3,4-Piperidinediol, 1,3-dimethyl-6-phenyl-4-(phenylethynyl)-, (3-alpha,4-alpha,6-beta)-
RN: 120729-75-1
InChIKey: YILNCKODXJTICZ-PCCBWWKXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-N-O2

Molecular Weight

  • 321.4177
 
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Names and Synonyms

Synonyms

  • (3-alpha,4-alpha,6-beta)-1,3-Dimethyl-6-phenyl-4-(phenylethynyl)-3,4-piperidinediol
  • BRN 3558889
  • trans-1,3-Dimethyl-4-(phenylethynyl)-6-phenyl-3,4-piperidinediol

Systematic Name

  • 3,4-Piperidinediol, 1,3-dimethyl-6-phenyl-4-(phenylethynyl)-, (3-alpha,4-alpha,6-beta)-

Registry Numbers

CAS Registry Number

  • 120729-75-1

System Generated Number

  • 0120729751

Structure Descriptors

InChI

1S/C21H23NO2/c1-20(23)16-22(2)19(18-11-7-4-8-12-18)15-21(20,24)14-13-17-9-5-3-6-10-17/h3-12,19,23-24H,15-16H2,1-2H3/t19-,20-,21+/m0/s1

InChIKey

YILNCKODXJTICZ-PCCBWWKXSA-N

Smiles

C[C@@]1(CN([C@@H](C[C@@]1(C#Cc2ccccc2)O)c3ccccc3)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 87mg/kg (87mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 23, Pg. 178, 1989.