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123266-61-5 | 7-Benzofurancarboxamide, N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,3-dihydro-5-iodo-, (S)- (9CI)
CAS No: 123266-61-5 Catalog No: AG000K9R MDL No:
Product Description
Catalog Number:
AG000K9R
Chemical Name:
7-Benzofurancarboxamide, N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,3-dihydro-5-iodo-, (S)- (9CI)
CAS Number:
123266-61-5
Molecular Formula:
C16H21IN2O2
Molecular Weight:
400.2546
IUPAC Name:
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-iodo-2,3-dihydro-1-benzofuran-2-carboxamide
InChI:
InChI=1S/C16H21IN2O2/c1-2-19-7-3-4-13(19)10-18-16(20)15-9-11-8-12(17)5-6-14(11)21-15/h5-6,8,13,15H,2-4,7,9-10H2,1H3,(H,18,20)
InChI Key:
AQQRYGZYDIHPCW-UHFFFAOYSA-N
SMILES:
CCN1CCC[C@H]1CNC(=O)c1cc(I)cc2c1OCC2
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.065g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
400.26g/mol
Monoisotopic Mass:
400.065g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Potential usefulness of D2R reporter gene imaging by IBF as gene therapy monitoring for cerebellar neurodegenerative diseases. | Journal of cerebral blood flow and metabolism : official journal of the International Society of Cerebral Blood Flow and Metabolism 20090201 |
| [SPECT imaging using [123I]beta-CIT and [123I]IBF in extrapyramidal diseases]. | No to shinkei = Brain and nerve 20030101 |
| Occupancy of dopamine D2 receptors in the mouse brain measured using ultra-high-resolution single-photon emission tomography and [123]IBF. | European journal of nuclear medicine and molecular imaging 20021101 |
| Ultra-high resolution single photon emission tomography imaging of the mouse striatum. | European journal of nuclear medicine and molecular imaging 20020301 |
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