1-Piperidineethanol, α-(5-phenyl-3-isoxazolyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (2:1)

CAS Registry Number®

2139-25-5

CAS Name

1-Piperidineethanol, α-(5-phenyl-3-isoxazolyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (2:1)

Molecular Formula

C16H20N2O2.1/2C6H8O7

Cite this Page

1-Piperidineethanol, α-(5-phenyl-3-isoxazolyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (2:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2139-25-5 (retrieved 2024-11-04) (CAS RN: 2139-25-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    135-145 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C16H20N2O2.C6H8O7/c19-15(12-18-9-5-2-6-10-18)14-11-16(20-17-14)13-7-3-1-4-8-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h1,3-4,7-8,11,15,19H,2,5-6,9-10,12H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

InChIKey=LLIFHVXJAXBPMC-UHFFFAOYSA-N

SMILES

C(CN1CCCCC1)(O)C=2C=C(ON2)C3=CC=CC=C3.C(CC(O)=O)(CC(O)=O)(C(O)=O)O

Canonical SMILES

O=C(O)CC(O)(C(=O)O)CC(=O)O.OC(C1=NOC(=C1)C=2C=CC=CC2)CN3CCCCC3

Other Names for this Substance

  • 1-Piperidineethanol, α-(5-phenyl-3-isoxazolyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (2:1)
  • 1-Piperidineethanol, α-(5-phenyl-3-isoxazolyl)-, citrate (2:1)
  • 1-Piperidineethanol, α-(5-phenyl-3-isoxazolyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (2:1) (salt)
  • 1-Piperidineethanol, α-(5-phenyl-3-isoxazolyl)-, citrate
  • 31252S

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