CAS Number77-23-6
Synonymscarbetapentane; 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
Molecular FormulaC20H31O3N1
Molecular Weight333.47
Purity98%
Density1.0±0.1 g/cm3
Boiling Point435.5±30.0 °C at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 77-23-6 |
| Catalog No. | 2A-9009578 |
| Chinese Name | 枸橼酸喷托维林 |
| 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 |
| Molecular Formula | C20H31O3N1 |
| Molecular Weight | 333.47 |
| Purity | 98 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 435.5±30.0 °C at 760 mmHg |
| Application | Pentoxyvirine (carbetapentane) is a sigma-1 receptor agonist with a Ki of 75 nM in the guinea pig meninges. Pentoxyvirine is a centrally acting cough suppressant with antimycin and anticonvulsant prop |
| HTC | 2921300090 |
| MDL Number | MFCD00209899 |
| SMILES | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1 |
| InChI | InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3 |
| InChI Key | CFJMRBQWBDQYMK-UHFFFAOYSA-N |
| MSDS | msds/9578_1_77_23_6.pdf |
| Use of | 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]. Properties Name Pentoxyverine Synonym More Synonyms Pentoxyverine Biological Activity 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]. Related Catalog Research Areas >> Neurological Disease Signaling Pathways >> GPCR/G Protein >> Sigma Receptor Ki: 75 nM (sigma-1 receptor)[4] In Vitro Pentoxyverine competitive binds to [3H]-pentazocine-labelled sites on guinea-pig brain membranes, with a Ki of 75 nM[4]. 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. [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. Chemical & Physical Properties Molecular Formula C20H31NO3 Exact Mass 333.230408 PSA 38.77000 Index of Refraction 1.517 InChIKey CFJMRBQWBDQYMK-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Cyclopentanecarboxylic acid, 1-phenyl-, 2-(2-(diethylamino)ethoxy)ethyl ester CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C20-H31-N-O3 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea REFERENCE : TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea REFERENCE : TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea REFERENCE : Safety Information Safety Phrases S26-S36 WGK Germany 3 HS Code 2921300090 Synthetic Route Total: 1 Page α-Phenylcyclope... CAS#:17380-62-0 2-(a-diethylami... CAS#:140-82-9 Pentoxyverine CAS#:77-23-6 Literature: US2842585 , ; Precursor & DownStream Precursor 2 CAS#:17380-62-0 α-Phenylcyclope... CAS#:140-82-9 2-(a-diethylami... DownStream 0 |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary 2921300090 other cyclanic, cyclenic or cyclootherpenic 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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