Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Carbetapentane citrate [NF]
RN: 23142-01-0
UNII: 4SH0MFJ5HJ
InChIKey: AKJDEXBCRLOVTH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H31-N-O3.C6-H8-O7

Molecular Weight

  • 525.591
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Carbetapentane citrate [NF]

Synonyms

  • 2-(2(Diethylamino)ethoxy)ethyl 1-phenyl-cyclopentanecarboxylate citrate (1:1)
  • 2-(2-(Diethylamino)ethoxy)ethyl 1-phenylcyclopentanecarboxylate citrate (1:1)
  • 2-(2-(Diethylamino)ethoxy)ethyl 1-phenylcyclopentyl-1-carboxylate dihydrogen citrate
  • Carbetapentane citrate
  • Carbetapentone citrate
  • EINECS 245-449-5
  • Ethanol, 2-(2-(diethylamino)ethoxy)-, 1-phenylcyclopentanecarboxylate (ester) citrate
  • Loucarbate
  • Pentoxiverine citrate
  • Pentoxyverine citrate
  • Toclase
  • Toclase citrate
  • UNII-4SH0MFJ5HJ

Systematic Names

  • 2-(2-(Diethylamino)ethoxy)ethyl 1-phenylcyclopentanecarboxylate citrate (1:1)
  • Cyclopentanecarboxylic acid, 1-phenyl-, 2-(2-(diethylamino)ethoxy)ethyl ester, citrate (1:1)
  • Diethyl(2-(2-((1-phenylcyclopentyl)formyloxy)ethoxy)ethyl)ammoniumdihydrogen 2-hydroxypropane-1,2,3-tricarboxylate

Registry Numbers

CAS Registry Number

  • 23142-01-0

FDA UNII

  • 4SH0MFJ5HJ

Other Registry Number

  • 5585-88-6

System Generated Number

  • 0023142010

Molecular Formulas

Molecular Formula

  • C20-H31-N-O3.C6-H8-O7

Molecular Formula Fragments

  • C20-H31-N-O3
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

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)

InChIKey

AKJDEXBCRLOVTH-UHFFFAOYSA-N

Smiles

C1(C(=O)OCCOCCN(CC)CC)(c2ccccc2)CCCC1.C(CC(CC(=O)O)(C(=O)O)O)(=O)O

Toxicity

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.