CAS 71538-43-7 | (5s)-6,6-dimethyl-5-[(6r)-6-methyl-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride | CAS Number 71538-43-7

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71538-43-7 | (5s)-6,6-dimethyl-5-[(6r)-6-methyl-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride

CAS No: 71538-43-7 Catalog No: AG005GSC MDL No:

Product Description

Catalog Number:

AG005GSC

Chemical Name:

(5s)-6,6-dimethyl-5-[(6r)-6-methyl-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride

CAS Number:

71538-43-7

Molecular Formula:

C22H22ClNO6

Molecular Weight:

431.8662

IUPAC Name:

(6R)-6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6-methylfuro[3,4-g][1,3]benzodioxol-8-one;chloride

InChI:

InChI=1S/C22H22NO6.ClH/c1-22(14-4-5-15-19(28-11-25-15)18(14)21(24)29-22)20-13-9-17-16(26-10-27-17)8-12(13)6-7-23(20,2)3;/h4-5,8-9,20H,6-7,10-11H2,1-3H3;1H/q+1;/p-1/t20-,22+;/m0./s1

InChI Key:

QPBAWXSYMVNFJU-IKGOIYPNSA-M

SMILES:

O=C1O[C@@](c2c1c1OCOc1cc2)(C)[C@@H]1c2cc3OCOc3cc2CC[N+]1(C)C.[Cl-]

Properties

Complexity:

699

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

431.114g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

431.869g/mol

Monoisotopic Mass:

431.114g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

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Dose-dependent protective effect of connexin43 mimetic peptide against neurodegeneration in an ex vivo model of epileptiform lesion.	Epilepsy research 20101201
Somatostatin signaling in neuronal cilia is critical for object recognition memory.	The Journal of neuroscience : the official journal of the Society for Neuroscience 20100324
Evidence that gamma-aminobutyric acid is part of the neural circuit mediating estradiol negative feedback in anestrous ewes.	Endocrinology 20080601
Discriminative stimulus effects of tiagabine and related GABAergic drugs in rats.	Psychopharmacology 20080501
Differential contribution of GABAergic and glycinergic components to inhibitory synaptic transmission in lamina II and laminae III-IV of the young rat spinal cord.	The European journal of neuroscience 20071101
Adrenergic nerves mediate the venoconstrictor response to PVN stimulation.	Brain research 20060303
A brief period of epileptiform activity strengthens excitatory synapses in the rat hippocampus in vitro.	Epilepsia 20060201
Modulation of synaptic transmission in hippocampal CA1 neurons by a novel neurotoxin (beta-pompilidotoxin) derived from wasp venom.	Neuroscience research 20011201
GABA receptors modulate trigeminovascular nociceptive neurotransmission in the trigeminocervical complex.	British journal of pharmacology 20011001