CAS 192065-56-8|4-{13-methyl-4,6-dioxa-11,12-diazatricyclo[7.5.0.0<sup>3</sup>,<sup>7</sup>]tetradeca-1,3(7),8,10,12-pentaen-10-yl}aniline hydrochloride|GYKI 52466 hydrochloride|4-{13-methyl-4,6-dio...

Molecular Formula

C₁₇H₁₆ClN₃O₂

Molecular Mass

329.78084

Exact Mass

329.09310445

InChI

InChI=1S/C17H15N3O2.ClH/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11;/h2-5,7-8H,6,9,18H2,1H3;1H

InChIKey

RUBSCPARMVJNKX-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc(cc1)C1=NN=C(Cc2c1cc1OCOc1c2)C.Cl

Isomeric Smiles

CC1=NN=C(c2cc3c(cc2C1)OCO3)c1ccc(cc1)N.Cl

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.2606878

LogD (pH = 7.4)

2.2630124

Log P

2.2630422

Molar Refractivity

84.4737

Polarizability

31.58339

Polar Surface Area

69.2

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

Commercial Catalog

IUPAC Traditional name

4-{13-methyl-4,6-dioxa-11,12-diazatricyclo[7.5.0.0³,⁷]tetradeca-1,3(7),8,10,12-pentaen-10-yl}aniline hydrochloride

Synonyms

GYKI 52466 hydrochloride1-(4-Aminophenyl)-4-methyl-7,8-methylenedioxy-5H-2,3-benzodiazepine hydrochloride

IUPAC name

4-{13-methyl-4,6-dioxa-11,12-diazatricyclo[7.5.0.0³,⁷]tetradeca-1,3(7),8,10,12-pentaen-10-yl}aniline hydrochloride

CAS Number

MDL Number

PubChem SID

PubChem CID

Physical Property

Solubility

Apperance

yellow solid

Safety Information

GHS Hazard statements

H315-H319-H335

GHS Signal Word

Warning

European Hazard Symbols

Irritant (Xi)

dust mask type N95 (US), Eyeshields, Gloves

P261-P305+P351+P338

36/37/38

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

22-26-36

Product Information

Purity

≥98% (HPLC)

Pharmacology Properties

Gene Information

human ... GRIA1(2890), GRIA2(2891), GRIA3(2892), GRIA4(2893)

No Data Available

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No Data Available

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Sigma Aldrich

G119

Biochem/physiol Actions
Selective allosteric AMPA receptor antagonist; anti-convulsant; skeletal muscle relaxant.
Legal Information
Sold under exclusive license from the Institute for Drug Research Ltd., Budapest, Hungary.

No Data Available

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Academic Data

Commercial Catalog

IUPAC Traditional name

4-{13-methyl-4,6-dioxa-11,12-diazatricyclo[7.5.0.0³,⁷]tetradeca-1,3(7),8,10,12-pentaen-10-yl}aniline hydrochloride

Synonyms

GYKI 52466 hydrochloride1-(4-Aminophenyl)-4-methyl-7,8-methylenedioxy-5H-2,3-benzodiazepine hydrochloride

IUPAC name

4-{13-methyl-4,6-dioxa-11,12-diazatricyclo[7.5.0.0³,⁷]tetradeca-1,3(7),8,10,12-pentaen-10-yl}aniline hydrochloride

CAS Number

MDL Number

PubChem SID

PubChem CID

G119

No Data Available

Click here to submit data

Physical Property

Solubility

Apperance

yellow solid

Safety Information

GHS Hazard statements

H315-H319-H335

GHS Signal Word

Warning

European Hazard Symbols

Irritant (Xi)

dust mask type N95 (US), Eyeshields, Gloves

P261-P305+P351+P338

36/37/38

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

22-26-36

Product Information

Purity

≥98% (HPLC)

Pharmacology Properties

Gene Information

human ... GRIA1(2890), GRIA2(2891), GRIA3(2892), GRIA4(2893)

Molecule

ID:133820