Thioperamide maleate, H3 antagonist

Key facts

CAS number

148440-81-7

Purity

>98%

Form

Solid

form

Molecular weight

408.5 Da

Molecular formula

C₁₉H₂₈N₄O₄S

PubChem

11211984

Nature

Synthetic

Solubility

Soluble in water to 50 mM

Biochemical name

Thioperamide maleate

Biological description

Potent, selective H3 antagonist that crosses the blood-brain barrier.

Canonical smiles

C1CCC(CC1)NC(=S)N2CCC(CC2)C3=CN=CN3.C(=CC(=O)O)C(=O)O

Isomeric smiles

C1CCC(CC1)NC(=S)N2CCC(CC2)C3=CN=CN3.C(=C\C(=O)O)\C(=O)O

InChi

InChI=1S/C15H24N4S.C4H4O4/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14;5-3(6)1-2-4(7)8/h10-13H,1-9H2,(H,16,17)(H,18,20);1-2H,(H,5,6)(H,7,8)/b;2-1-

InChiKey

WUYMIKDBRCCYGE-BTJKTKAUSA-N

IUPAC Name

(Z)-but-2-enedioic acid;N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide