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ZK 93423 hydrochloride

CAT: 0607-B6912-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B6912-50Size:50 mg
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Description
GABAA receptor agonist
CAS Number
1216574-52-5
Product Name Alternative
ethyl 6-(benzyloxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
Field of Research
Membrane Transporter Ion Channel GABA Receptor
Purity
0.98
Form
Yellow solid
Solubility
insoluble in ethanol; <11.71mg/ml in DMSO
Smiles
CCOC(C1=NC=C2C(C3=C(N2)C=CC(OCC4=CC=CC=C4)=C3)=C1COC)=O
Molecular Formula
C23H22N2O4·HCl
Molecular Weight
426.9
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at RT.

Chemical Information

ZK 93423 hydrochloride

ZK 93423 hydrochloride is an organic molecular entity.

CAS Number1216574-52-5
PubChem CID56972166
IUPAC Nameethyl 4-(methoxymethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride
Molecular FormulaC23H23ClN2O4
Molecular Weight426.9
Topological Polar Surface Area73.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity539
SMILES
CCOC(=O)C1=NC=C2C(=C1COC)C3=C(N2)C=CC(=C3)OCC4=CC=CC=C4.Cl
InChI
InChI=1S/C23H22N2O4.ClH/c1-3-28-23(26)22-18(14-27-2)21-17-11-16(29-13-15-7-5-4-6-8-15)9-10-19(17)25-20(21)12-24-22;/h4-12,25H,3,13-14H2,1-2H3;1H
InChIKey
KHMDBPAODAAMBQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ZK 93423 hydrochloride
CAS: 1216574-52-5
CID: 56972166
Formula: C23H23ClN2O4
MW: 426.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass426.1346349
Monoisotopic Mass426.1346349
Topological Polar Surface Area73.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity539
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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