CAS 1026016-83-0 | (3R,11bR)-3-Isobutyl-9,10-dimethoxy-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one | CAS Number 1026016-83-0

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1026016-83-0 | (3R,11bR)-3-Isobutyl-9,10-dimethoxy-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one

CAS No: 1026016-83-0 Catalog No: AG0007VL MDL No:

Product Description

Catalog Number:

AG0007VL

Chemical Name:

(3R,11bR)-3-Isobutyl-9,10-dimethoxy-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one

CAS Number:

1026016-83-0

Molecular Formula:

C19H27NO3

Molecular Weight:

317.4226

IUPAC Name:

(3R,11bR)-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-/m1/s1

InChI Key:

MKJIEFSOBYUXJB-GDBMZVCRSA-N

SMILES:

COc1cc2c(cc1OC)CCN1[C@@H]2CC(=O)[C@@H](C1)CC(C)C

UNII:

69ENL3U6BF

Properties

Complexity:

425

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

317.199g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

317.429g/mol

Monoisotopic Mass:

317.199g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

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Tetrabenazine for the treatment of chorea and other hyperkinetic movement disorders.	Expert review of neurotherapeutics 20111101
Preparation and evaluation of tetrabenazine enantiomers and all eight stereoisomers of dihydrotetrabenazine as VMAT2 inhibitors.	European journal of medicinal chemistry 20110501
Quadriparesis and dysarthria due to tetrabenazine therapy in a child with rheumatic chorea.	Indian journal of pharmacology 20110101
Dantrolene is neuroprotective in Huntington's disease transgenic mouse model.	Molecular neurodegeneration 20110101
Tetrabenazine, a monoamine-depleting drug used in the treatment of hyperkinetic movement disorders.	The American journal of geriatric pharmacotherapy 20100801
Calcium signaling and neurodegeneration.	Acta naturae 20100401
ELBARA II, an L-band radiometer system for soil moisture research.	Sensors (Basel, Switzerland) 20100101
Tetrabenazine in the treatment of Huntington's disease.	Neuropsychiatric disease and treatment 20071001