chempirical

Carbetapentane citrate

C26H39NO10CAS 23142-01-0525.60 g/mol

Open in Covalent MOL file
NOOOOHOHOOOHOHO
AlcoholCarboxylic acidEsterEtherTertiary amine

Properties

Molecular formula
C26H39NO10
Molar mass
525.60 g/mol
Exact mass
525.2574 Da
Melting point
93 °C
logP
2.15Crippen estimate
Polar surface area
170.9 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
15

Identifiers

CAS number
23142-01-0
SMILES
CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIKey
AKJDEXBCRLOVTH-UHFFFAOYSA-N
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)

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Names and synonyms

16 names · show all
  • Cyclopentanecarboxylic acid, 1-phenyl-, 2-[2-(diethylamino)ethoxy]ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • Cyclopentanecarboxylic acid, 1-phenyl-, 2-[2-(diethylamino)ethoxy]ethyl ester citrate (1:1)
  • Toclase
  • Sedotussin
  • Pentoxyverine citrate
  • Tosnore
  • Calnathal
  • Antees
  • Tuclase
  • Fustpentane
  • Pencal
  • Carbetane
  • Germapect
  • Cossym
  • UCB 2543
  • 2-(2-(Diethylamino)ethoxy)ethyl 1-phenylcyclopentanecarboxylate 2-hydroxypropane-1,2,3-tricarboxylate

Work with Carbetapentane citrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Carbetapentane77-23-674 % similar Alverine citrate5560-59-856 % similar Clostilbegit50-41-951 % similar Benactyzine hydrochloride57-37-447 % similar Oxolamine citrate1949-20-847 % similar Diphenhydramine citrate88637-37-044 % similar Phenyltoloxamine citrate1176-08-543 % similar Tamoxifen citrate54965-24-140 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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