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Flurazepam monohydrochloride

CAT: 0926-FC103012-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FC103012-01Size:50 mg
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CAS Number
36105-20-1
Smiles
CCN (CC) CCN1C (=O) CN=C (C2=C1C=CC (=C2) Cl) C3=CC=CC=C3F.Cl
Molecular Formula
C21H24Cl2FN3O
Molecular Weight
424.34 g/mol
Controlled
Yes

Chemical Information

Flurazepam Monohydrochloride

Flurazepam monohydrochloride is a benzodiazepine.

CAS Number36105-20-1
PubChem CID37368
IUPAC Name7-chloro-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one;hydrochloride
Molecular FormulaC21H24Cl2FN3O
Molecular Weight424.3
Topological Polar Surface Area35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity540
SMILES
CCN(CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F.Cl
InChI
InChI=1S/C21H23ClFN3O.ClH/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23;/h5-10,13H,3-4,11-12,14H2,1-2H3;1H
InChIKey
PUGVROXLRUQCAF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Flurazepam Monohydrochloride
CAS: 36105-20-1
CID: 37368
Formula: C21H24Cl2FN3O
MW: 424.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight424.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass423.1280459
Monoisotopic Mass423.1280459
Topological Polar Surface Area35.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity540
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