Introduction：Basic information about CAS 77-23-6|Pentoxyverine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Pentoxyverine |
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| CAS Number | 77-23-6 | Molecular Weight | 333.465 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 435.5±30.0 °C at 760 mmHg |
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| Molecular Formula | C20H31NO3 | Melting Point | / |
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| MSDS | / | Flash Point | 217.2±24.6 °C |
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Names
| Name | Pentoxyverine |
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| Synonym | More Synonyms |
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Pentoxyverine BiologicalActivity
| Description | Pentoxyverine (Carbetapentane) is a sigma-1 receptor agonist, with a Ki of 75 nM on guinea-pig brain membranes. Pentoxyverine is a centrally-acting cough suppressant with antimuscarinic and anticonvulsant properties. Pentoxyverine can be used for inhibiting bronchial interceptor, weakening of cough reflex, bronchial smooth muscle relaxation and reduction of airway resistance[1][2][3][4]. |
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| Related Catalog | Research Areas >>Neurological DiseaseSignaling Pathways >>GPCR/G Protein >>Sigma Receptor |
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| Target | Ki: 75 nM (sigma-1 receptor)[4] |
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| In Vitro | Pentoxyverine competitive binds to [3H]-pentazocine-labelled sites on guinea-pig brain membranes, with a Ki of 75 nM[4]. |
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| In Vivo | Pentoxyverine (1-5 mg/kg; a single i.p.) inhibits citric-acid-induced cough in guinea-pigs[4]. |
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| References | [1]. Mohamed SH, et, al. Extraction-free spectrophotometric assay of the antitussive drug pentoxyverine citrate using sulfonephthalein dyes. Spectrochim Acta A Mol Biomol Spectrosc. 2019 Nov 5;222:117186. [2]. Tortella FC, et, al. Dextromethorphan and carbetapentane: centrally acting non-opioid antitussive agents with novel anticonvulsant properties. Brain Res. 1986 Sep 24;383(1-2):314-8. [3]. Calderon SN, et, al. Novel 1-phenylcycloalkanecarboxylic acid derivatives are potent and selective sigma 1 ligands. J Med Chem. 1994 Jul 22;37(15):2285-91. [4]. Brown C, et, al. Antitussive activity of sigma-1 receptor agonists in the guinea-pig. Br J Pharmacol. 2004 Jan;141(2):233-40. |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 435.5±30.0 °C at 760 mmHg |
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| Molecular Formula | C20H31NO3 |
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| Molecular Weight | 333.465 |
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| Flash Point | 217.2±24.6 °C |
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| Exact Mass | 333.230408 |
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| PSA | 38.77000 |
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| LogP | 3.29 |
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| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
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| Index of Refraction | 1.517 |
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| InChIKey | CFJMRBQWBDQYMK-UHFFFAOYSA-N |
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| SMILES | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- GY3450000
- CHEMICAL NAME :
- Cyclopentanecarboxylic acid, 1-phenyl-, 2-(2-(diethylamino)ethoxy)ethyl ester
- CAS REGISTRY NUMBER :
- 77-23-6
- BEILSTEIN REFERENCE NO. :
- 2299701
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C20-H31-N-O3
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 150 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 9,446,1957
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 130 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 9,446,1957
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 13 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 9,446,1957
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Safety Information
| Safety Phrases | S26-S36 |
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| WGK Germany | 3 |
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| HS Code | 2921300090 |
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Customs
| HS Code | 2921300090 |
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| Summary | 2921300090 other cyclanic, cyclenic or cyclotherpenic mono- or polyamines, and their derivatives; salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
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Synonyms
| carbetapentane |
| Cyclopentanecarboxylic acid, 1-phenyl-, 2-[2-(diethylamino)ethoxy]ethyl ester |
| 2-{[2-(diethylamino)ethyl]oxy}ethyl 1-phenylcyclopentanecarboxylate |
| Atussil |
| EINECS 201-014-1 |
| 2-[2-(Diethylamino)ethoxy]ethyl 1-phenylcyclopentanecarboxylate |
| Tuclase |
| Pentoxyverine |
| Sedotussin |
| carbita Pentane |
| ucb2543 |
| Pentoxyverin |
| Urex |
| Pentoxiverin |
| Pentoxiverine |
