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3712-25-2 | 2-iodolysergic acid diethylamide
CAS No: 3712-25-2 Catalog No: AG00CYVL MDL No:
Product Description
Catalog Number:
AG00CYVL
Chemical Name:
2-iodolysergic acid diethylamide
CAS Number:
3712-25-2
IUPAC Name:
(6aR,9R)-N,N-diethyl-5-iodo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
InChI:
InChI=1S/C20H24IN3O/c1-4-24(5-2)20(25)12-9-14-13-7-6-8-16-18(13)15(19(21)22-16)10-17(14)23(3)11-12/h6-9,12,17,22H,4-5,10-11H2,1-3H3/t12-,17-/m1/s1
InChI Key:
OBCUQRYIGTWROI-SJKOYZFVSA-N
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
449.096g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
449.336g/mol
Monoisotopic Mass:
449.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7). | Journal of medicinal chemistry 20030703 |
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