3-Deoxygalanthamine - CAS 312920-69-7

Catalog:	BB068521
Product Name:	3-Deoxygalanthamine
CAS:	312920-69-7
Synonyms:	(4aS,8aS)-4a,5,9,10,11,12-Hexahydro-3-methoxy-11-methyl-6H-benzofuro[3a,3,2-ef][2]benzazepine; (4aS,8aS)-3-Methoxy-11-methyl-5,6,9,10,11,12-hexahydro-4aH-benzo[2,3]benzofuro[4,3-cd]azepine

Technical Data

IUPAC Name:	(1S,12S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene
Description:	3-Deoxygalanthamine is a reactant in the synthesis of Galanthamine (G188501), a selective acetylcholinesterase inhibitor. Useful for the treatment of Alzheimer's disease.
Molecular Weight:	271.35
Molecular Formula:	C17H21NO2
Canonical SMILES:	CN1CCC23C=CCCC2OC4=C(C=CC(=C34)C1)OC
InChI:	InChI=1S/C17H21NO2/c1-18-10-9-17-8-4-3-5-14(17)20-16-13(19-2)7-6-12(11-18)15(16)17/h4,6-8,14H,3,5,9-11H2,1-2H3/t14-,17-/m0/s1
InChI Key:	UKUVCVJKXPDUPB-YOEHRIQHSA-N
References:	Bickel, U., et al. Clin. Pharmacol. Ther., 50, 420 (1991); Maelicke, A., et al. Drugs Dis Today, 1, 53 (1996); Sauvaltre, T., et al. J. Med. Chem., 50, 5311 (2007).

Complexity:	410
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	271.157228913
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	271.157228913
Rotatable Bond Count:	1
Topological Polar Surface Area:	21.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9