Carbetapentane citrate

CAS Registry Number®

23142-01-0

CAS Name

Carbetapentane citrate

Molecular Formula

C20H31NO3.C6H8O7

Cite this Page

Carbetapentane citrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=23142-01-0 (retrieved 2024-11-22) (CAS RN: 23142-01-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    93 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

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)

InChIKey

InChIKey=AKJDEXBCRLOVTH-UHFFFAOYSA-N

SMILES

C(CC(O)=O)(CC(O)=O)(C(O)=O)O.C(OCCOCCN(CC)CC)(=O)C1(CCCC1)C2=CC=CC=C2

Canonical SMILES

O=C(O)CC(O)(C(=O)O)CC(=O)O.O=C(OCCOCCN(CC)CC)C1(C=2C=CC=CC2)CCCC1

Other Names for this Substance

  • 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
  • Carbetapentane citrate
  • Sedotussin

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Deleted or Replaced CAS Registry Numbers

5585-88-6

CAS INSIGHTSTM
Targeted protein degrader structure, illustration