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Substance Name: Centalun
RN: 2033-94-5
UNII: 3N20VGJ39Y
InChIKey: GQOXDWHRXDPZJK-UHFFFAOYSA-N

Molecular Formula

  • C11-H12-O2

Molecular Weight

  • 176.214
 
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Names and Synonyms

Name of Substance

  • Centalun

Synonyms

  • 1-Fenyl-2-methyl-3-butin-1,2-diol
  • 1-Fenyl-2-methyl-3-butin-1,2-diol [Czech]
  • 2-Methyl-1-phenyl-3-butyne-1,2-diol
  • 3,4-Dihydroxy-3-methyl-4-phenyl-1-butyne
  • 3-Methyl-3,4-dihydroxy-4-phenyl-1-butyne
  • 3-Methyl-3,4-dihydroxy-4-phenyl-butin-1
  • 3-Methyl-3,4-dihydroxy-4-phenyl-butin-1 [German]
  • BRN 1909980
  • Centalun
  • KO 339
  • KOE 339
  • UNII-3N20VGJ39Y

Systematic Names

  • 3-Butyne-1,2-diol, 2-methyl-1-phenyl-
  • 3-Methyl-4-phenyl-1-butyne-3,4-diol

Registry Numbers

CAS Registry Number

  • 2033-94-5

FDA UNII

  • 3N20VGJ39Y

System Generated Number

  • 0002033945

Structure Descriptors

InChI

1S/C11H12O2/c1-3-11(2,13)10(12)9-7-5-4-6-8-9/h1,4-8,10,12-13H,2H3

InChIKey

GQOXDWHRXDPZJK-UHFFFAOYSA-N

Smiles

c1([C@@H]([C@@](C#C)(C)O)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral > 200mg/kg (200mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 13, Pg. 728, 1963.
dog LDLo oral > 400mg/kg (400mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 13, Pg. 728, 1963.
mouse LD50 intraperitoneal 490mg/kg (490mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 64, Pg. 351, 1968.
mouse LD50 intravenous 175mg/kg (175mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 64, Pg. 351, 1968.
mouse LD50 oral 710mg/kg (710mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 13, Pg. 728, 1963.
mouse LD50 subcutaneous 610mg/kg (610mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 64, Pg. 351, 1968.
rabbit LDLo intravenous > 100mg/kg (100mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 13, Pg. 728, 1963.
rat LD50 intraperitoneal 510mg/kg (510mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 64, Pg. 351, 1968.
rat LD50 intravenous 260mg/kg (260mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 13, Pg. 728, 1963.
rat LD50 oral 730mg/kg (730mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 64, Pg. 351, 1968.
rat LD50 subcutaneous 515mg/kg (515mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 13, Pg. 728, 1963.