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Cinazepam

CAT: 0013-GTR19240995-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240995-03Size:100 mg
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Description
Cinazepam is a benzodiazepine derivative and partial agonist of the GABAA receptor, exhibiting anxiolytic and sedative effects. It is used in preclinical research, including in vitro binding assays and in vivo models, for studying sleep disorders and anxiety-related mechanisms.
CAS Number
172986-25-3
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O=C (O) CCC (=O) OC1N=C (C=2C=CC=CC2Cl) C=3C=C (Br) C=CC3NC1=O
Molecular Formula
C19H14BrClN2O5
Molecular Weight
465.68
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(7-Bromo-5-(2-chlorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl) butanedioate
CAS Number172986-25-3
PubChem CID629281
IUPAC Name4-[[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxobutanoic acid
Molecular FormulaC19H14BrClN2O5
Molecular Weight465.7
XLogP2.5
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity658
SMILES
C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)OC(=O)CCC(=O)O)Cl
InChI
InChI=1S/C19H14BrClN2O5/c20-10-5-6-14-12(9-10)17(11-3-1-2-4-13(11)21)23-19(18(27)22-14)28-16(26)8-7-15(24)25/h1-6,9,19H,7-8H2,(H,22,27)(H,24,25)
InChIKey
NQTRBZXDWMDXAQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(7-Bromo-5-(2-chlorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl) butanedioate
CAS: 172986-25-3
CID: 629281
Formula: C19H14BrClN2O5
MW: 465.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight465.7
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass463.97746
Monoisotopic Mass463.97746
Topological Polar Surface Area105 Ų
Heavy Atom Count28
Formal Charge0
Complexity658
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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