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Substance Name: Benzonatate [USP:INN:BAN]
RN: 104-31-4
InChIKey: MAFMQEKGGFWBAB-UHFFFAOYSA-N

Classification Codes

  • Antitussive
  • Antitussive Agents
  • Central Nervous System Agents
  • Drug / Therapeutic Agent
  • Human Data
  • Respiratory System Agents

Molecular Formula

  • C30-H53-N-O11

Molecular Weight

  • 603.7447
 

Names and Synonyms

Name of Substance

  • Benzonatate
  • Benzonatate [USP:INN:BAN]

Synonyms

  • 2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl p-(butylamino)benzoate
  • Benzonatate
  • Benzonatato
  • Benzonatato [INN-Spanish]
  • Benzonatatum
  • Benzonatatum [INN-Latin]
  • Benzononantin
  • Benzononatine
  • EINECS 203-194-7
  • Exangit
  • HSDB 7933
  • KM65
  • p-(n)-Butylaminobenzoesaeure-(nonaaethylenglykol-monomethylaether)-ester
  • p-(n)-Butylaminobenzoesaeure-(nonaaethylenglykol-monomethylaether)-ester [German]
  • Polyethyleneglycol-p-n-butylaminobenzoate methyl ester
  • Tessalin
  • Tessalon
  • Tessalon Perles
  • Tessalon-ciba
  • Ventussin
  • Ventussin-loz
  • Zonatuss

Systematic Names

  • Benzoic acid, 4-(butylamino)-, 2,5,8,11,14,17,20,23,26-nonaoxaoctacos-28-yl ester
  • Benzoic acid, 4-(butylamino)-, 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester
  • Benzoic acid, p-(butylamino)-, 2-(2-(2-(2-(2-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethyl ester
  • Benzonatate

Registry Numbers

CAS Registry Number

  • 104-31-4

System Generated Number

  • 0000104314

Structure Descriptors

InChI

InChI=1S/C30H53NO11/c1-3-4-9-31-29-7-5-28(6-8-29)30(32)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-2/h5-8,31H,3-4,9-27H2,1-2H3

InChIKey

MAFMQEKGGFWBAB-UHFFFAOYSA-N

Smiles

CCCCNc1ccc(cc1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 4mg/kg (4mg/kg)   Schweizerische Medizinische Wochenschrift. Vol. 86, Pg. 94, 1956.
dog LD50 subcutaneous 217mg/kg (217mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 54, Pg. 688, 1958.
guinea pig LD50 intravenous 4400ug/kg (4.4mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 739, 1957.
man TDLo oral 51mg/kg (51mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

CARDIAC: OTHER CHANGES		 Journal of Toxicology, Clinical Toxicology. Vol. 36, Pg. 713, 1998.
mouse LD50 intravenous 9mg/kg (9mg/kg)   Helvetica Physiologia et Pharmacologica Acta. Vol. 15, Pg. 55, 1957.
mouse LD50 oral 400mg/kg (400mg/kg)   Schweizerische Medizinische Wochenschrift. Vol. 86, Pg. 94, 1956.
mouse LD50 subcutaneous 100mg/kg (100mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 7, Pg. 372, 1959.
rabbit LD50 intravenous 5mg/kg (5mg/kg)   Schweizerische Medizinische Wochenschrift. Vol. 86, Pg. 94, 1956.
rabbit LD50 subcutaneous 200mg/kg (200mg/kg)   Schweizerische Medizinische Wochenschrift. Vol. 86, Pg. 94, 1956.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.45 (none)   EXP
Water Solubility 1.230 mg/L 25 EST
Vapor Pressure 4.22E-14 mm Hg 25 EST
Henry's Law Constant 3.33E-24 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.49E-10 cm3/molecule-sec 25 EST

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