Iso-1 F-18
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-(2-(18F)fluoroethoxy)-5-methyl(18F)benzamide
Molecular Identity
Iso-1 F-18
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-(2-(18F)fluoroethoxy)-5-methyl(18F)benzamide
PubChem CID: 16737780
2D Structure
Properties
C25H33FN2O4
Molecular Formula
443.50
Molecular Weight
g/mol
443.2450
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
60
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
566
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=C(C=C1)OCCF)C(=O)NCCCCN2CCC3=CC(=C(C=C3C2)OC)OCIsomeric SMILES
SMILES: CC1=CC(=C(C=C1)OCC[18F])C(=O)NCCCCN2CCC3=CC(=C(C=C3C2)OC)OCSynonyms(17)
ISO-1 F-1818F-ISO-1UNII-3G67X40A29945992-47-23G67X40A29F-18-ISOBenzamide, N-(4-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)butyl)-2-(2-(fluoro-18F)ethoxy)-5-methyl-N-(4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)butyl)-2-(2-(1?F)fluoroethoxy)-5-methylbenzamideN-[4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)butyl]-2-[2-(1?F)fluoroethoxy]-5-methylbenzamideRefChem:148942[18F]ISO-1CHEMBL227072SCHEMBL30967284DB14900SB18899
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Iso-1 F-18
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