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Mioflazine hydrochloride

CAT: 0013-GTR19211271-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211271-01Size:25 mg
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Description
Mioflazine hydrochloride is a nucleoside transport inhibitor that enhances adenosine signaling, studied for its sleep-promoting effects. It is utilized in neuroscience research to investigate adenosine pathways in both in vitro cellular assays and in vivo sleep models.
CAS Number
79467-24-6
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
O.Cl.NC (=O) C1CN (CC (=O) Nc2c (Cl) cccc2Cl) CCN1CCCC (c1ccc (F) cc1) c1ccc (F) cc1
Molecular Formula
C29H34Cl4F2N4O3
Molecular Weight
666.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mioflazine Hydrochloride

See also: Mioflazine (has active moiety).

CAS Number79467-24-6
PubChem CID21896660
IUPAC Name1-[4,4-bis(4-fluorophenyl)butyl]-4-[2-(2,6-dichloroanilino)-2-oxoethyl]piperazine-2-carboxamide;hydrate;dihydrochloride
Molecular FormulaC29H34Cl4F2N4O3
Molecular Weight666.4
Topological Polar Surface Area79.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count42
Formal Charge0
Complexity763
SMILES
C1CN(C(CN1CC(=O)NC2=C(C=CC=C2Cl)Cl)C(=O)N)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.O.Cl.Cl
InChI
InChI=1S/C29H30Cl2F2N4O2.2ClH.H2O/c30-24-4-1-5-25(31)28(24)35-27(38)18-36-15-16-37(26(17-36)29(34)39)14-2-3-23(19-6-10-21(32)11-7-19)20-8-12-22(33)13-9-20;;;/h1,4-13,23,26H,2-3,14-18H2,(H2,34,39)(H,35,38);2*1H;1H2
InChIKey
CAEGSEJNBXUDOD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mioflazine Hydrochloride
CAS: 79467-24-6
CID: 21896660
Formula: C29H34Cl4F2N4O3
MW: 666.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight666.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass666.132358
Monoisotopic Mass664.135308
Topological Polar Surface Area79.7 Ų
Heavy Atom Count42
Formal Charge0
Complexity763
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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