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Mioflazine

CAT: 0926-EDA46723-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-EDA46723-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
79467-23-5
MDL Number
MFCD00868245
Smiles
C1=CC=NC (=C1) CNC2=CN=CC (=N2) Cl
Molecular Formula
C29H30Cl2F2N4O2
Molecular Weight
575.5 g/mol
Controlled
No

Chemical Information

Mioflazine

See also: Mioflazine Hydrochloride (active moiety of).

CAS Number79467-23-5
PubChem CID72001
IUPAC Name1-[4,4-bis(4-fluorophenyl)butyl]-4-[2-(2,6-dichloroanilino)-2-oxoethyl]piperazine-2-carboxamide
Molecular FormulaC29H30Cl2F2N4O2
Molecular Weight575.5
XLogP5.5
Topological Polar Surface Area78.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count39
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
InChI
InChI=1S/C29H30Cl2F2N4O2/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)
InChIKey
VWXFUOAKGNJSBI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mioflazine
CAS: 79467-23-5
CID: 72001
Formula: C29H30Cl2F2N4O2
MW: 575.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight575.5
XLogP35.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass574.1713879
Monoisotopic Mass574.1713879
Topological Polar Surface Area78.7 Ų
Heavy Atom Count39
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 Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19203555-01Mioflazine
T68685-01Mioflazine hydrochloride
T68603-01Mioflazine hydrochloride anhydrous
HY-U00049BMioflazine di (hydrochloride)
HY-U00049AMioflazine (di (hydrochloride) hydrate)

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