Sarizotan
1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]methanamine
Molecular Identity
Sarizotan
1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]methanamine
PubChem CID: 6918388
2D Structure
Properties
C22H21FN2O
Molecular Formula
348.40
Molecular Weight
g/mol
348.1638
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
34.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
426
Complexity
SMILES
Canonical SMILES
SMILES: C1CC2=CC=CC=C2OC1CNCC3=CC(=CN=C3)C4=CC=C(C=C4)FIsomeric SMILES
SMILES: C1CC2=CC=CC=C2O[C@H]1CNCC3=CC(=CN=C3)C4=CC=C(C=C4)FSynonyms(20)
Sarizotan351862-32-3467LU0UCUWEMD-776971-(5-(4-Fluorophenyl)pyridin-3-yl)-N-((2R)-3,4,4a,8a-tetrahydro-2H-chromen-2-ylmethyl)methanamine3-Pyridinemethanamine, 5-(4-fluorophenyl)-N-(((2R)-3,4,4a,8a-tetrahydro-2H-1-benzopyran-2-yl)methyl)-sarizotanumRefChem:181428DTXCID601384590(((2R)-3,4-dihydro-2H-1-benzopyran-2-yl)methyl)(((5-(4-fluorophenyl)pyridin-3-yl)methyl))amineDTXSID80956632Sarizotan [INN]UNII-467LU0UCUW1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)pyridin-3-yl]methyl]methanamine(R)-1-(chroman-2-yl)-N-((5-(4-fluorophenyl)pyridin-3-yl)methyl)methanamine
Data from PubChem (NCBI)
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