Emedastine difumarate

CAS Registry Number®

87233-62-3

CAS Name

Emedastine difumarate

Molecular Formula

C17H26N4O.2C4H4O4

Cite this Page

Emedastine difumarate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=87233-62-3 (retrieved 2024-11-22) (CAS RN: 87233-62-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    148-151 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C17H26N4O.C4H4O4/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20;5-3(6)1-2-4(7)8/h4-5,7-8H,3,6,9-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

InChIKey=FGFODSDYSQTNOS-WLHGVMLRSA-N

SMILES

C(COCC)N1C(=NC=2C1=CC=CC2)N3CCCN(C)CC3.C(=C/C(O)=O)\C(O)=O

Canonical SMILES

O=C(O)C=CC(=O)O.N=1C=2C=CC=CC2N(C1N3CCN(C)CCC3)CCOCC

Other Names for this Substance

  • 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-, (2E)-2-butenedioate (1:2)
  • 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-, (E)-2-butenedioate (1:2)
  • 1H-1,4-Diazepine, 1H-benzimidazole deriv.
  • KB 2413
  • LY 188695

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration