200,000+ products from a single source!
sales@angenechem.com
Home > Quinoline > 1026016-84-1
1026016-84-1 | 2H-BENZO[A]QUINOLIZIN-2-ONE, 1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-3-(2-METHYLPROPYL)-, (3S,11BS)-
CAS No: 1026016-84-1 Catalog No: AG0007VK MDL No:
Product Description
Catalog Number:
AG0007VK
Chemical Name:
2H-BENZO[A]QUINOLIZIN-2-ONE, 1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-3-(2-METHYLPROPYL)-, (3S,11BS)-
CAS Number:
1026016-84-1
Molecular Formula:
C19H27NO3
Molecular Weight:
317.4226
IUPAC Name:
(3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
InChI:
InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16-/m0/s1
InChI Key:
MKJIEFSOBYUXJB-HOCLYGCPSA-N
SMILES:
COc1cc2c(cc1OC)CCN1[C@H]2CC(=O)[C@H](C1)CC(C)C
UNII:
8A3NP33E5M
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
317.199g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.429g/mol
Monoisotopic Mass:
317.199g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Preparation and evaluation of tetrabenazine enantiomers and all eight stereoisomers of dihydrotetrabenazine as VMAT2 inhibitors. | European journal of medicinal chemistry 20110501 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.