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Ethyl dirazepate

CAT: 0013-GTR19202719-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202719-02Size:50 mg
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Description
Ethyl dirazepate is a benzodiazepine derivative exhibiting characteristic anxiolytic and hypnotic properties. It serves as a research chemical for investigating GABA-A receptor modulation in neuropharmacological studies, including in vitro binding assays and in vivo behavioral models of anxiety and sleep.
CAS Number
23980-14-5
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
ClC1=C (C=2C=3C (NC (=O) C (C (OCC) =O) N2) =CC=C (Cl) C3) C=CC=C1
Molecular Formula
C18H14Cl2N2O3
Molecular Weight
377.22
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ethyl dirazepate
CAS Number23980-14-5
PubChem CID208941
IUPAC Nameethyl 7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxylate
Molecular FormulaC18H14Cl2N2O3
Molecular Weight377.2
XLogP3.4
Topological Polar Surface Area67.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity554
SMILES
CCOC(=O)C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3Cl
InChI
InChI=1S/C18H14Cl2N2O3/c1-2-25-18(24)16-17(23)21-14-8-7-10(19)9-12(14)15(22-16)11-5-3-4-6-13(11)20/h3-9,16H,2H2,1H3,(H,21,23)
InChIKey
XFVPZJMXRNBHLQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl dirazepate
CAS: 23980-14-5
CID: 208941
Formula: C18H14Cl2N2O3
MW: 377.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.2
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass376.0381477
Monoisotopic Mass376.0381477
Topological Polar Surface Area67.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity554
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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