Oxeladin citrate

CAS Registry Number®

52432-72-1

CAS Name

Oxeladin citrate

Molecular Formula

C20H33NO3.C6H8O7

Cite this Page

Oxeladin citrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52432-72-1 (retrieved 2024-11-22) (CAS RN: 52432-72-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    90-91 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C20H33NO3.C6H8O7/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4;7-3(8)1-6(13,5(11)12)2-4(9)10/h9-13H,5-8,14-17H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

InChIKey=KVKJFNUGVOFNGU-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)CC(O)(C(=O)O)CC(=O)O.O=C(OCCOCCN(CC)CC)C(C=1C=CC=CC1)(CC)CC

Other Names for this Substance

  • Benzeneacetic acid, α,α-diethyl-, 2-[2-(diethylamino)ethoxy]ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • Butyric acid, 2-ethyl-2-phenyl-, 2-(2-diethylaminoethoxy)ethyl ester, citrate
  • Oxeladin citrate
  • Oxeladine citrate
  • Pectamol

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Deleted or Replaced CAS Registry Numbers

16485-39-5