Rupatadine fumarate

CAS Registry Number®

182349-12-8
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CAS Name

Rupatadine fumarate

Molecular Formula

C26H26ClN3.C4H4O4

Cite this Page

Rupatadine fumarate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=182349-12-8 (retrieved 2021-09-25) (CAS RN: 182349-12-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    194-201 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H26ClN3.C4H4O4/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25;5-3(6)1-2-4(7)8/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

InChIKey=JYBLCDXVHQWMSU-WLHGVMLRSA-N

SMILES

C(=C/C(O)=O)\C(O)=O.ClC=1C=C2C(C(C=3C(CC2)=CC=CN3)=C4CCN(CC=5C=C(C)C=NC5)CC4)=CC1

Canonical SMILES

O=C(O)C=CC(=O)O.ClC=1C=CC2=C(C1)CCC=3C=CC=NC3C2=C4CCN(CC=5C=NC=C(C5)C)CC4

Other Names for this Substance

  • 5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 8-chloro-6,11-dihydro-11-[1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinylidene]-, (2E)-2-butenedioate (1:1)
  • 5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 8-chloro-6,11-dihydro-11-[1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinylidene]-, (E)-2-butenedioate (1:1)
  • Rupatadine fumarate