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Substance Name: Bucetin [INN:BAN:JAN]
RN: 1083-57-4
UNII: 6M7CVQ8PF8
InChIKey: LIAWQASKBFCRNR-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Tumor Data

Molecular Formula

  • C12-H17-N-O3

Molecular Weight

  • 223.27
 
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Names and Synonyms

Name of Substance

  • Bucetin
  • Bucetin [INN:BAN:JAN]

Synonyms

  • 3-Hydroxy-p-butyrophenetidide
  • 4'-Ethoxy-3-hydroxybutyranilide
  • 4-13-00-01216 (Beilstein Handbook Reference)
  • beta-Hydroxybutyric acid-p-phenetidide
  • beta-Oxybuttersaeure-p-phenetidid
  • beta-Oxybuttersaeure-p-phenetidid [German]
  • Betadid
  • BRN 2725755
  • Bucetin
  • Bucetina
  • Bucetina [INN-Spanish]
  • Bucetine
  • Bucetine [INN-French]
  • Bucetinum
  • Bucetinum [INN-Latin]
  • Butanamide, N-(4-ethoxyphenyl)-3-hydroxy-
  • Butyranilide, 4'-ethoxy-3-hydroxy-
  • CCRIS 2654
  • EINECS 214-109-8
  • Hoe 15239
  • N-(4-Ethoxyphenyl)-3-hydroxybutanamide
  • UNII-6M7CVQ8PF8

Systematic Names

  • 3-Hydroxy-p-butyrophenetidide
  • Bucetin
  • Butanamide, N-(4-ethoxyphenyl)-3-hydroxy-
  • N-(4-Ethoxyphenyl)-3-hydroxybutanamide
  • p-Butyrophenetidide, 3-hydroxy-

Registry Numbers

CAS Registry Number

  • 1083-57-4

FDA UNII

  • 6M7CVQ8PF8

Other Registry Number

  • 156674-12-3

System Generated Number

  • 0001083574

Structure Descriptors

InChI

1S/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7,9,14H,3,8H2,1-2H3,(H,13,15)

InChIKey

LIAWQASKBFCRNR-UHFFFAOYSA-N

Smiles

c1(ccc(OCC)cc1)NC(C[C@@H](C)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 790mg/kg (790mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 62, Pg. 123, 1966.
mouse LD50 oral 2800mg/kg (2800mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 62, Pg. 123, 1966.
rat LD50 oral 7gm/kg (7000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 727, 1965.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 160 deg C   EXP
log P (octanol-water) 1.120 (none)   EST
Atmospheric OH Rate Constant 4.51E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.