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Fenclozine

CAT: 0931-T11271-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T11271-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
75626-98-1
Target
Others
Related Pathways
Others
Bioactivity
Fenclozine is a non-steroidal anti-inflammatory drug.
Smiles
O=C(OCCOCCN1CCN(CC1)C(C=2C=CC=CC2)C3=CC=C(Cl)C=C3)C(C=4C=CC=C(C4)C(=O)C=5C=CC=CC5)C
Molecular Formula
C37H39ClN2O4
Molecular Weight
611.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[2-[4-[(4-Chlorophenyl)benzyl]piperazin-1-YL]ethoxy]ethyl 2-(3-benzoylphenyl)propionate
CAS Number75626-98-1
PubChem CID156973
IUPAC Name2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethyl 2-(3-benzoylphenyl)propanoate
Molecular FormulaC37H39ClN2O4
Molecular Weight611.2
XLogP7.1
Topological Polar Surface Area59.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Heavy Atom Count44
Formal Charge0
Complexity860
SMILES
CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)OCCOCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C37H39ClN2O4/c1-28(32-13-8-14-33(27-32)36(41)31-11-6-3-7-12-31)37(42)44-26-25-43-24-23-39-19-21-40(22-20-39)35(29-9-4-2-5-10-29)30-15-17-34(38)18-16-30/h2-18,27-28,35H,19-26H2,1H3
InChIKey
NEBBBTQIVQBKPT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[2-[4-[(4-Chlorophenyl)benzyl]piperazin-1-YL]ethoxy]ethyl 2-(3-benzoylphenyl)propionate
CAS: 75626-98-1
CID: 156973
Formula: C37H39ClN2O4
MW: 611.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight611.2
XLogP37.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Exact Mass610.2598354
Monoisotopic Mass610.2598354
Topological Polar Surface Area59.1 Ų
Heavy Atom Count44
Formal Charge0
Complexity860
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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