Altropane I-123
methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-[(E)-3-(123I)iodoprop-2-enyl]-8-azabicyclo[3.2.1]octane-2-carboxylate
Molecular Identity
Altropane I-123
methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-[(E)-3-(123I)iodoprop-2-enyl]-8-azabicyclo[3.2.1]octane-2-carboxylate
PubChem CID: 71587637
2D Structure
Properties
C18H21FINO2
Molecular Formula
425.30
Molecular Weight
g/mol
425.0612
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
29.5
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
450
Complexity
SMILES
Canonical SMILES
SMILES: COC(=O)C1C2CCC(N2CC=CI)CC1C3=CC=C(C=C3)FIsomeric SMILES
SMILES: COC(=O)[C@@H]1[C@H]2CC[C@H](N2C/C=C/[123I])C[C@@H]1C3=CC=C(C=C3)FSynonyms(20)
Altropane I-123123I-AltropaneD20OLL8HWU(123i)altropaneUNII-D20OLL8HWUIacft 123i-labeled form208517-65-1NAV5001NAV-5001NAV-5001 I-123DTXSID10174968IACFT 123I-LABELED FORM [MI]8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-(4-FLUOROPHENYL)-8-((2E)-3-(IODO-123I)-2-PROPEN-1-YL)-, METHYL ESTER, (1R,2S,3S,5S)-8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-(4-FLUOROPHENYL)-8-((2E)-3-(IODO-123I)-2-PROPENYL)-, METHYL ESTER, (1R,2S,3S,5S)-methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-((2E)-3-(123I)iodoprop-2-en-1-yl)-8-azabicyclo(3.2.1)octane-2-carboxylate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Altropane I-123
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