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Chemical structure of Alniditan dihydrochloride

GC62417

Alniditan dihydrochloride

Also known as N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine;dihydrochloride

Alniditan (Alnitidan) dihydrochloride is a potent 5-HT1B and 5-HT1D receptors agonist, with IC50s of 1·7 nM and 1·3 nM for h5-HT1B and h5-HT1D receptors in HEK?293 cells, respectively

ChemicalCAS155428-00-5MW375.34FormulaC17H28Cl2N4O
CAS number
155428-00-5
Molecular weight
375.34
Formula
C17H28Cl2N4O
Solubility
DMSO ： 62·5 mg/mL (166·52 mM; Need ultrasonic)
InChIKey
GDNITZYKOOTAFK-QCUBGVIVSA-N
Catalogue number
GC62417
Brand
GLPBIO
Computed properties PubChem CID 9907628 · TPSA 57.7 Ų · H-bond donors 5 · H-bond acceptors 3
TPSA
57.7 Ų
H-bond donors
5
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
24

SMILES C1CNC(=NC1)NCCCNC[C@H]2CCC3=CC=CC=C3O2.Cl.Cl

Computed descriptors from PubChem (CID 9907628), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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