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Fluphenazine enanthate

CAT: 0024-sc-279168Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-279168Size:10 mg
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CAS Number
2746-81-8

Chemical Information

Fluphenazine Enanthate

Fluphenazine enanthate is a member of phenothiazines.

CAS Number2746-81-8
PubChem CID3389
IUPAC Name2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl heptanoate
Molecular FormulaC29H38F3N3O2S
Molecular Weight549.7
XLogP7.4
Topological Polar Surface Area61.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Heavy Atom Count38
Formal Charge0
Complexity720
SMILES
CCCCCCC(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F
InChI
InChI=1S/C29H38F3N3O2S/c1-2-3-4-5-11-28(36)37-21-20-34-18-16-33(17-19-34)14-8-15-35-24-9-6-7-10-26(24)38-27-13-12-23(22-25(27)35)29(30,31)32/h6-7,9-10,12-13,22H,2-5,8,11,14-21H2,1H3
InChIKey
LRWSFOSWNAQHHW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fluphenazine Enanthate
CAS: 2746-81-8
CID: 3389
Formula: C29H38F3N3O2S
MW: 549.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight549.7
XLogP37.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Exact Mass549.26368312
Monoisotopic Mass549.26368312
Topological Polar Surface Area61.3 Ų
Heavy Atom Count38
Formal Charge0
Complexity720
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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