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Substance Name: Diacetolol [INN:BAN]
RN: 22568-64-5
UNII: 4ER0CZ5G7C
InChIKey: AWOGXJOBNAWQSF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H24-N2-O4

Molecular Weight

  • 308.376
 
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Names and Synonyms

Results Name

  • Diacetolol [INN:BAN]

Name of Substance

  • Diacetolol [INN:BAN]

Synonyms

  • (+-)-Diacetolol
  • (+-)-N-(3-Acetyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)acetamide
  • (RS)-1-(2-Acetyl-4-acetamidophenoxy)-2-hydroxy-3-isopropylaminopropane
  • Acetylacebutolol
  • BRN 2156350
  • Diacetolol
  • Diacetololum
  • Diacetololum [INN-Latin]
  • DL-1-(2-Acetyl-4-acetamidophenoxy)-2-hydroxy-3-isopropylaminopropane
  • EINECS 245-088-3
  • M and B 16942
  • UNII-4ER0CZ5G7C

Systematic Names

  • (1)-N-(3-Acetyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)acetamide
  • Acetamide, N-(3-acetyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-, (+-)-
  • Acetanilide, 3'-acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)-, DL- (8CI)

Registry Numbers

CAS Registry Number

  • 22568-64-5

FDA UNII

  • 4ER0CZ5G7C

Other Registry Number

  • 28197-69-5

System Generated Number

  • 0022568645

Structure Descriptors

InChI

1S/C16H24N2O4/c1-10(2)17-8-14(21)9-22-16-6-5-13(18-12(4)20)7-15(16)11(3)19/h5-7,10,14,17,21H,8-9H2,1-4H3,(H,18,20)

InChIKey

AWOGXJOBNAWQSF-UHFFFAOYSA-N

Smiles

N(C[C@@H](COc1c(C(=O)C)cc(NC(=O)C)cc1)O)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 77600ug/kg (77.6mg/kg)   Nouvelle Presse Medicale. Vol. 7, Pg. 3258, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.94 (none)   EXP
Water Solubility 1730 mg/L 25 EST
Vapor Pressure 9.20E-12 mm Hg 25 EST
Henry's Law Constant 1.71E-20 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.20E-10 cm3/molecule-sec 25 EST

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