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303-75-3

303-75-3 | 2H-Benzo[a]quinolizin-2-ol, 2-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-

CAS No: 303-75-3 Catalog No: AG002ZKG MDL No:

Product Description

Catalog Number:
AG002ZKG
Chemical Name:
2H-Benzo[a]quinolizin-2-ol, 2-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-
CAS Number:
303-75-3
Molecular Formula:
C21H33NO3
Molecular Weight:
347.4916
IUPAC Name:
2-ethyl-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol
InChI:
InChI=1S/C21H33NO3/c1-6-21(23)12-18-17-11-20(25-5)19(24-4)10-15(17)7-8-22(18)13-16(21)9-14(2)3/h10-11,14,16,18,23H,6-9,12-13H2,1-5H3
InChI Key:
TUNMGCULOKMBNJ-UHFFFAOYSA-N
SMILES:
CCC1(O)CC2N(CC1CC(C)C)CCc1c2cc(OC)c(c1)OC

Properties

Complexity:
443  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.246g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
347.499g/mol
Monoisotopic Mass:
347.246g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

Literature

Title Journal
Vesicular monoamine transporter 2 and the acute and long-term response to 3,4-(±)-methylenedioxymethamphetamine. Toxicological sciences : an official journal of the Society of Toxicology 20150101
Des-keto lobeline analogs with increased potency and selectivity at dopamine and serotonin transporters. Bioorganic & medicinal chemistry letters 20061001

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