Skip Navigation
ChemIDplus A TOXNET DATABASE Lite•Browse•Advanced

Substance Name: 3,4-Piperidinediol, 1,3-dimethyl-4-ethynyl-6-(4-methoxyphenyl)-, (3-alpha,4-alpha,6-beta)-
RN: 120729-74-0
InChIKey: PSZNYNIWWBSFKB-HRCADAONSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N-O3

Molecular Weight

  • 275.3459
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • (3-alpha,4-alpha,6-beta)-1,3-Dimethyl-4-ethynyl-6-(4-methoxyphenyl)-3,4-piperidinediol
  • trans-1,3-Dimethyl-4-ethynyl-6-(4-methoxyphenyl)-3,4-piperidinediol

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 120729-74-0

System Generated Number

  • 0120729740

Structure Descriptors

InChI

1S/C16H21NO3/c1-5-16(19)10-14(17(3)11-15(16,2)18)12-6-8-13(20-4)9-7-12/h1,6-9,14,18-19H,10-11H2,2-4H3/t14-,15-,16+/m0/s1

InChIKey

PSZNYNIWWBSFKB-HRCADAONSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 262mg/kg (262mg/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.