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84590-09-0 | 2H-Benzo(a)quinolizine-2-ethanol, 3-ethyl-1,3,4,6,7,11b-hexahydro-9-hydroxy-10-methoxy-, (2R,3R,11bS)-
CAS No: 84590-09-0 Catalog No: AG004UE1 MDL No:
Product Description
Catalog Number:
AG004UE1
Chemical Name:
2H-Benzo(a)quinolizine-2-ethanol, 3-ethyl-1,3,4,6,7,11b-hexahydro-9-hydroxy-10-methoxy-, (2R,3R,11bS)-
CAS Number:
84590-09-0
Molecular Formula:
C18H27NO3
Molecular Weight:
305.4119
IUPAC Name:
(2R,3R,11bS)-3-ethyl-2-(2-hydroxyethyl)-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-9-ol
InChI:
InChI=1S/C18H27NO3/c1-3-12-11-19-6-4-14-9-17(21)18(22-2)10-15(14)16(19)8-13(12)5-7-20/h9-10,12-13,16,20-21H,3-8,11H2,1-2H3/t12-,13-,16-/m0/s1
InChI Key:
BQKULDKJGYXIKE-XEZPLFJOSA-N
SMILES:
OCC[C@H]1C[C@@H]2N(C[C@@H]1CC)CCc1c2cc(OC)c(c1)O
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
305.199g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.418g/mol
Monoisotopic Mass:
305.199g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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