Pentoxyverine citrate supplier

Name
CARBETAPENTANE CITRATE
EINECS 245-449-5
CAS No. 23142-01-0
Density
Solubility
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
Appearance White to off-white solid
Safety 26-36
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xn
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;
PSA 170.90000
LogP 2.15150

Synthetic route

: 76-59-5
bromothymol blue

: 23142-01-0
carbetapentane citrate

: C20H31NO3*C27H28Br2O5S

Conditions

Conditions	Yield
In chloroform; cyclohexane

: 115-40-2
bromcresol purple

: 23142-01-0
carbetapentane citrate

: C20H31NO3*C21H16Br2O5S

Conditions

Conditions	Yield
In chloroform; cyclohexane

: 2553-71-1
bromo-chloro phenol blue

: 23142-01-0
carbetapentane citrate

: C20H31NO3*C19H10Br2Cl2O5S

Conditions

Conditions	Yield
In chloroform; cyclohexane

: 40070-59-5
bromo xylenol blue

: 23142-01-0
carbetapentane citrate

: C20H31NO3*C23H20Br2O5S

Conditions

Conditions	Yield
In chloroform; cyclohexane

: 76-60-8
bromocresol green

: 23142-01-0
carbetapentane citrate

: C20H31NO3*C21H14Br4O5S

Conditions

Conditions	Yield
In chloroform; cyclohexane

: 23142-01-0
carbetapentane citrate

: 115-39-9
bromophenol blue

: C20H31NO3*C19H10Br4O5S

Conditions

Conditions	Yield
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)	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.

Product Name

CARBETAPENTANE CITRATE

Synthetic route

Pentoxyverine citrate Specification

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