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140430-72-4 | 3-iodo-4-azidococaine
CAS No: 140430-72-4 Catalog No: AG00AI8X MDL No:
Product Description
Catalog Number:
AG00AI8X
Chemical Name:
3-iodo-4-azidococaine
CAS Number:
140430-72-4
IUPAC Name:
methyl (1R)-3-(4-azido-3-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
InChI:
InChI=1S/C17H19IN4O4/c1-22-10-4-6-13(22)15(17(24)25-2)14(8-10)26-16(23)9-3-5-12(20-21-19)11(18)7-9/h3,5,7,10,13-15H,4,6,8H2,1-2H3/t10?,13-,14?,15?/m1/s1
InChI Key:
YNKNBBUFOGRTPI-QHLGEMKESA-N
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
470.045g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
470.267g/mol
Monoisotopic Mass:
470.045g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Characterization of the cocaine binding site on the sigma-1 receptor. | Biochemistry 20070320 |
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