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Pentoxyverine citrate

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Name

Pentoxyverine citrate

EINECS 245-449-5
CAS No. 23142-01-0 Density N/A
PSA 170.90000 LogP 2.15150
Solubility N/A Melting Point 84-86?C
Formula C20H31NO3.C6H8O7 Boiling Point 435.5 °C at 760 mmHg
Molecular Weight 525.596 Flash Point 217.2 °C
Transport Information N/A Appearance White to off-white solid
Safety 26-36 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 23142-01-0 (CARBETAPENTANE CITRATE) Hazard Symbols HarmfulXn
Synonyms

Astomatop (TN);Astomatop;2-(2-diethylaminoethoxy)ethyl 1-phenylcyclopentane-1-carboxylate; 2-hydroxypropane-1,2,3-tricarboxylic acid;Prestwick_748;Toclase;Cyclopentanecarboxylic acid,1-phenyl-,2-[2-(diethylamino)ethoxy]- ethyl ester,2-hydroxy-1,2,3-propanetricarboxylate (1:1);Pentoxyverine citrate (JP14);Sedotussin;Carbetapentane citrate;Caretapentane citrate;

 

Pentoxyverine citrate Synthetic route

76-59-5

bromothymol blue

23142-01-0

carbetapentane citrate

C20H31NO3*C27H28Br2O5S

Conditions
ConditionsYield
In chloroform; cyclohexane
115-40-2

bromcresol purple

23142-01-0

carbetapentane citrate

C20H31NO3*C21H16Br2O5S

Conditions
ConditionsYield
In chloroform; cyclohexane
2553-71-1

bromo-chloro phenol blue

23142-01-0

carbetapentane citrate

C20H31NO3*C19H10Br2Cl2O5S

Conditions
ConditionsYield
In chloroform; cyclohexane
40070-59-5

bromo xylenol blue

23142-01-0

carbetapentane citrate

C20H31NO3*C23H20Br2O5S

Conditions
ConditionsYield
In chloroform; cyclohexane
76-60-8

bromocresol green

23142-01-0

carbetapentane citrate

C20H31NO3*C21H14Br4O5S

Conditions
ConditionsYield
In chloroform; cyclohexane
23142-01-0

carbetapentane citrate

115-39-9

bromophenol blue

C20H31NO3*C19H10Br4O5S

Conditions
ConditionsYield
In chloroform; cyclohexane

Pentoxyverine citrate Specification

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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