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Chemical structure of Molsidomine (SIN-10)

GC32579

Molsidomine (SIN-10)

Also known as 1-ethoxy-N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)methanimidate

Molsidomine (SIN-10) is an orally active, long acting vasodilating drug, metabolized in the liver to the active metabolite linsidomine, which is an unstable compound that releases nitric oxide (NO) upon decay as the actual vasodilating compound

ChemicalCAS25717-80-0MW242.23FormulaC9H14N4O4
CAS number
25717-80-0
Molecular weight
242.23
Formula
C9H14N4O4
Solubility
DMSO : ≥ 42 mg/mL (173·39 mM)
InChIKey
XLFWDASMENKTKL-UHFFFAOYSA-N
Catalogue number
GC32579
Brand
GLPBIO
Computed properties PubChem CID 4238 · XLogP 2.2 · TPSA 87 Ų · H-bond donors 0
XLogP
2.2
TPSA
87 Ų
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
17

SMILES CCOC(=NC1=C[N+](=NO1)N2CCOCC2)[O-]

Computed descriptors from PubChem (CID 4238), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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