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2-Hydroxyethylflurazepam

CAT: 0804-HY-168367-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-168367-02Size:5 mg
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Description
2-Hydroxyethylflurazepam (compound II) is a metabolite of Flurazepam[1].
CAS Number
20971-53-3
UNSPSC
12352005
Target
Drug Metabolite
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Cardiovascular Disease
Smiles
O=C1N(CCO)C2=C(C(C3=C(F)C=CC=C3)=NC1)C=C(Cl)C=C2
Molecular Formula
C17H14ClFN2O2
Molecular Weight
332.76
References & Citations
[1]Schwartz MA, et al. Metabolism of flurazepam, a benzodiazepine, in man and dog. J Pharm Sci. 1970 Dec;59 (12) :1800-6.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Ro 07-2750
CAS Number20971-53-3
PubChem CID30401
IUPAC Name7-chloro-5-(2-fluorophenyl)-1-(2-hydroxyethyl)-3H-1,4-benzodiazepin-2-one
Molecular FormulaC17H14ClFN2O2
Molecular Weight332.8
XLogP1.6
Topological Polar Surface Area52.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity474
SMILES
C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CCO
InChI
InChI=1S/C17H14ClFN2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)20-10-16(23)21(15)7-8-22/h1-6,9,22H,7-8,10H2
InChIKey
FOCBRQQHNOKOJQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ro 07-2750
CAS: 20971-53-3
CID: 30401
Formula: C17H14ClFN2O2
MW: 332.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.8
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass332.0727835
Monoisotopic Mass332.0727835
Topological Polar Surface Area52.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity474
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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