The Pentoxyverine citrate, its cas register number is . It also can be called as Diethyl[2-[2-[(1-phenylcyclopentyl)formyloxy]ethoxy]ethyl]ammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate and the IUPAC name about this chemical is 2-(2-Diethylaminoethyloxy)ethyl 1-phenylcyclopentane-1-carboxylate; 2-Hydroxypropane-1,2,3-tricarboxylic acid. It belongs to the Sigma receptor.
Following are the chemical properties about Pentoxyverine citrate: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 11; (4)Polar Surface Area: 38.77Å2; (5)Enthalpy of Vaporization: 69.18 kJ/mol; (6)Vapour Pressure: 8.73E-08 mmHg at 25°C
The Pentoxyverine citrate is a dangerous chemical, because it is harmful by inhalation, in contact with skin and if swallowed and it irritating to eyes, respiratory system and skin. In the using process, please be more careful, you need to wear suitable protective clothing and in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Except these safety informations, there are also exist other data like WGK Germany is 3 and RTECS is GY3500000.
This chemical can be described computed from structure:
(1)Canonical SMILES: CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O(2)InChI: InChI=1S/C20H31NO3.C6H8O7/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;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
(3)InChIKey: AKJDEXBCRLOVTH-UHFFFAOYSA-N
The most important thing about Pentoxyverine citrate is the toxicity, following is the form:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
| mouse | LD50 | intramuscular | 232mg/kg (232mg/kg) | | Compilation of LD50 Values of New Drugs. |
| mouse | LD50 | intraperitoneal | 122mg/kg (122mg/kg) | | Compilation of LD50 Values of New Drugs. |
| mouse | LD50 | intravenous | 38mg/kg (38mg/kg) | | Compilation of LD50 Values of New Drugs. |
| mouse | LD50 | oral | 230mg/kg (230mg/kg) | | Drugs in Japan Vol. 6, Pg. 186, 1982. |
| mouse | LD50 | subcutaneous | 162mg/kg (162mg/kg) | | Compilation of LD50 Values of New Drugs. |
| rat | LD50 | intramuscular | 580mg/kg (580mg/kg) | | Compilation of LD50 Values of New Drugs. |
| rat | LD50 | intraperitoneal | 123mg/kg (123mg/kg) | | Compilation of LD50 Values of New Drugs. |
| rat | LD50 | intravenous | 34mg/kg (34mg/kg) | | Compilation of LD50 Values of New Drugs. |
| rat | LD50 | oral | 810mg/kg (810mg/kg) | | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 24, Pg. 1705, 1982. |
| rat | LD50 | subcutaneous | 1250mg/kg (1250mg/kg) | | Compilation of LD50 Values of New Drugs. |
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