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Substance Name: 3,4-Piperidinediol, 4-ethynyl-3-methyl-6-phenyl-1-(phenylmethyl)-, (3-alpha,4-alpha,6-beta)-
RN: 84714-87-4
InChIKey: KQOZLDIEEPSDIQ-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)-4-Ethynyl-3-methyl-6-phenyl-1-(phenylmethyl)-3,4-piperidinediol
  • 3a,4e-Dihydroxy-1-benzyl-3e-methyl-6e-phenyl-4a-ethynylpiperidine

Systematic Name

  • 3,4-Piperidinediol, 4-ethynyl-3-methyl-6-phenyl-1-(phenylmethyl)-, (3-alpha,4-alpha,6-beta)-

Registry Numbers

CAS Registry Number

  • 84714-87-4

System Generated Number

  • 0084714874

Structure Descriptors

InChI

1S/C21H23NO2/c1-3-21(24)14-19(18-12-8-5-9-13-18)22(16-20(21,2)23)15-17-10-6-4-7-11-17/h1,4-13,19,23-24H,14-16H2,2H3/t19-,20-,21+/m0/s1

InChIKey

KQOZLDIEEPSDIQ-PCCBWWKXSA-N

Smiles

C[C@@]1(CN([C@@H](C[C@@]1(C#C)O)c2ccccc2)Cc3ccccc3)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 38600ug/kg (38.6mg/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.