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148519-95-3 | (3-iodobenzyl)trozamicol
CAS No: 148519-95-3 Catalog No: AG00B3OB MDL No:
Product Description
Catalog Number:
AG00B3OB
Chemical Name:
(3-iodobenzyl)trozamicol
CAS Number:
148519-95-3
IUPAC Name:
(3S,4S)-1-[(3-iodophenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
InChI:
InChI=1S/C23H29IN2O/c24-21-8-4-5-18(15-21)16-25-12-11-23(27)22(17-25)26-13-9-20(10-14-26)19-6-2-1-3-7-19/h1-8,15,20,22-23,27H,9-14,16-17H2/t22-,23-/m0/s1
InChI Key:
UBVKSFDICLMPLH-GOTSBHOMSA-N
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
476.132g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
476.402g/mol
Monoisotopic Mass:
476.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| First CoMFA characterization of vesamicol analogs as ligands for the vesicular acetylcholine transporter. | Journal of medicinal chemistry 20080410 |
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