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ZK 93426 hydrochloride

CAT: 0607-B6914-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B6914-50Size:50 mg
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Description
benzodiazepine receptor antagonist,competitive
CAS Number
1216792-30-1
Product Name Alternative
ethyl 5-isopropoxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate hydrochloride
Field of Research
Membrane Transporter Ion Channel GABA Receptor
Form
Yellow solid
Solubility
<34.88mg/ml in H2O; <17.44mg/ml in DMSO
Smiles
CCOC(C1=NC=C2C(C3=C(N2)C=CC=C3OC(C)C)=C1C)=O.Cl
Molecular Formula
C18H20N2O3·HCl
Molecular Weight
348.82
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at RT.

Chemical Information

ZK 93426 Hydrochloride
CAS Number1216792-30-1
PubChem CID56972167
IUPAC Nameethyl 4-methyl-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride
Molecular FormulaC18H21ClN2O3
Molecular Weight348.8
Topological Polar Surface Area64.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity428
SMILES
CCOC(=O)C1=NC=C2C(=C1C)C3=C(N2)C=CC=C3OC(C)C.Cl
InChI
InChI=1S/C18H20N2O3.ClH/c1-5-22-18(21)17-11(4)15-13(9-19-17)20-12-7-6-8-14(16(12)15)23-10(2)3;/h6-10,20H,5H2,1-4H3;1H
InChIKey
RNQJDOYVHCISJU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ZK 93426 Hydrochloride
CAS: 1216792-30-1
CID: 56972167
Formula: C18H21ClN2O3
MW: 348.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass348.1240702
Monoisotopic Mass348.1240702
Topological Polar Surface Area64.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity428
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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