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Chemical structure of ROS 234 dioxalate

GC12085

ROS 234 dioxalate

Also known as N-[3-(1H-imidazol-5-yl)propyl]-1H-benzimidazol-2-amine;oxalic acid

ROS 234 dioxalate is a potent H3 antagonist, with a pKB of 9·46 for Guinea-pig ileum H3-receptor, a pKi of 8·90 for Rat cerebral cortex H3-receptor, and a ED50 of 19·12 mg/kg (ip) in ex vivo of Rat cerebral cortex

ChemicalCAS184576-87-2MW421.37FormulaC13H15N5·2C2H2O4
CAS number
184576-87-2
Molecular weight
421.37
Formula
C13H15N5·2C2H2O4
Solubility
＜21·07mg/ml in Water; ＜21·07mg/ml in DMSO
InChIKey
JKTBCMILCFDKEJ-UHFFFAOYSA-N
Catalogue number
GC12085
Brand
GLPBIO
Computed properties PubChem CID 56972188 · TPSA 219 Ų · H-bond donors 7 · H-bond acceptors 11
TPSA
219 Ų
H-bond donors
7
H-bond acceptors
11
Rotatable bonds
7
Heavy atoms
30

SMILES C1=CC=C2C(=C1)NC(=N2)NCCCC3=CN=CN3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Computed descriptors from PubChem (CID 56972188), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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