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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
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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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
- NSC 760128
- 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,3-4,9-27H2,1-2H3InChIKey
MAFMQEKGGFWBAB-UHFFFAOYSA-NSmiles
CCCCNc1ccc(cc1)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.