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3-Hydroxy desalkylflurazepam

CAT: 0931-T203036-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T203036-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17617-60-6
Target
GABA Receptor
Related Pathways
Neuroscience, Membrane transporter/Ion channel
Bioactivity
3-Hydroxy desalkylflurazepam is a benzodiazepine compound with potential sedative and anxiolytic effects.
Smiles
O=C1NC=2C=CC(Cl)=CC2C(=NC1O)C=3C=CC=CC3F
Molecular Formula
C15H10ClFN2O2
Molecular Weight
304.7
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-Desalkyl-3-hydroxyflurazepam
CAS Number17617-60-6
PubChem CID28648
IUPAC Name7-chloro-5-(2-fluorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.70
XLogP1.9
Topological Polar Surface Area61.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity445
SMILES
C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O)F
InChI
InChI=1S/C15H10ClFN2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)
InChIKey
FERBACJQVQVCKH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Desalkyl-3-hydroxyflurazepam
CAS: 17617-60-6
CID: 28648
Formula: C15H10ClFN2O2
MW: 304.70
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.70
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass304.0414834
Monoisotopic Mass304.0414834
Topological Polar Surface Area61.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity445
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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