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Chemical structure of Emedastine

GC39378

Emedastine

Also known as 1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole

Emedastine is an orally active, selective and high affinity histamine H1 receptor antagonist with a Ki value of 1·3 nM

ChemicalCAS87233-61-2MW302.41FormulaC17H26N4O
CAS number
87233-61-2
Molecular weight
302.41
Formula
C17H26N4O
Solubility
DMSO： 125 mg/mL (413·35 mM); Ethanol： 100 mg/mL (330·68 mM)
InChIKey
KBUZBQVCBVDWKX-UHFFFAOYSA-N
Catalogue number
GC39378
Brand
GLPBIO
Computed properties PubChem CID 3219 · XLogP 2.2 · TPSA 33.5 Ų · H-bond donors 0
XLogP
2.2
TPSA
33.5 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
22

SMILES CCOCCN1C2=CC=CC=C2N=C1N3CCCN(CC3)C

Computed descriptors from PubChem (CID 3219), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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